ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL389621
CHEMBL389621
Compound Name HYDROCORTISONE
ChEMBL Synonyms TRI-CICATRIN | TIMOCORT | TERRA-CORTRIL NYSTATIN | HYDRODERM HC | HYDRODERM | HI-COR | FLEXICORT | EVACORT | DERMASPRAY DEMANG | CORTENEMA | COLOCORT | Anusol-HC | HYDROCORT IN WTE SOFT PARAF | HC #1 | H-CORT | ECONACORT | DERMACORT | DERMA CARE HYDROCORT | CORTENEM | CORT-DOME | CIPRO HC | XYLOPROCT | Anucort-HC | ANUSOL HC | Ophthocort | HYDROCORTONE | ELDECORT | CORTEF | CORLAN | BETA-HC | NOGENIC HC | Locoid | HYDRO-RX | EXE-CORT | Cortifoam | CORTRIL | CORTISOL | CETACORT | CALMURID HC | ANUGESIC HC | ANFLAM | ALPHADERM | ALA-SCALP | ACTICORT | ACETASOL HC | TEXACORT | PERINAL | NYBADEX | NUTRACORT | SYNACORT | PROCTOCORT | PENECORT | Neo-Cortef | NYSTAFORM-HC | MILDISON LIPOCREAM | HYTONE | EURAX-HYDROCORT | DIODERM | DAKTACORT | BALNEOL-HC | QUINOCORT | HYDROCORTISONE | HYDROCORT IN CETOMACROGOL FOR A | HYDROCORT IN CALAMINE OILY | HC45 | HC #4 | GREGODERM | GERMOLOIDS HC | EURAX-HC | EFCORTELAN P | Cor-Oticin | ANUSOL PLUS HC | AEROSEB-HC | Terra-Cortril | ZENOXONE | UNIROID HC | SENTIAL HC | PROCTOSEDYL | OTOSEPTIL | MEDICORT | JUNGLE FOR | HC (HYDROCORTISONE) | GLYCORT | EPICORT | DOME-CORT | COBADEX | CANESTEN HC | U-Cort | TIMODINE | PROCTOFOAM HC | PROCTOCREAM HC | PLENADREN | OTOSPORIN | Micort-HC | DAKTACORT HYDROCORT | ANUSOL SOOTHING RELIEF | ALA-CORT | UNIROID | TOPISONE | STIE-CORT | HYDROCORTISONE IN ABSORBASE
Max Phase 4 (Approved)
Trade Names AEROSEB-HC | ANUSOL PLUS HC | EFCORTELAN P | EURAX-HC | GERMOLOIDS HC | GREGODERM | HC #4 | HC45 | HYDROCORT IN CALAMINE OILY | HYDROCORT IN CETOMACROGOL FOR A | HYDROCORTISONE | QUINOCORT | CANESTEN HC | COBADEX | DOME-CORT | EPICORT | GLYCORT | HC (HYDROCORTISONE) | JUNGLE FOR | MEDICORT | OTOSEPTIL | PROCTOSEDYL | SENTIAL HC | UNIROID HC | ZENOXONE | ALA-CORT | ANUSOL SOOTHING RELIEF | DAKTACORT HYDROCORT | OTOSPORIN | PLENADREN | PROCTOCREAM HC | PROCTOFOAM HC | TIMODINE | CIPRO HC | CORT-DOME | CORTENEM | DERMA CARE HYDROCORT | DERMACORT | ECONACORT | H-CORT | HC #1 | HYDROCORT IN WTE SOFT PARAF | HYDROCORTISONE IN ABSORBASE | STIE-CORT | TOPISONE | UNIROID | XYLOPROCT | ANUSOL HC | Anucort-HC | BETA-HC | CORLAN | CORTEF | ELDECORT | HYDROCORTONE | ACETASOL HC | ACTICORT | ALA-SCALP | ALPHADERM | ANFLAM | ANUGESIC HC | CALMURID HC | CETACORT | CORTRIL | EXE-CORT | HYDRO-RX | Locoid | NOGENIC HC | NUTRACORT | NYBADEX | PERINAL | TEXACORT | BALNEOL-HC | DAKTACORT | DIODERM | EURAX-HYDROCORT | HYTONE | MILDISON LIPOCREAM | NYSTAFORM-HC | PENECORT | PROCTOCORT | SYNACORT | Anusol-HC | COLOCORT | CORTENEMA | DERMASPRAY DEMANG | EVACORT | FLEXICORT | HI-COR | HYDRODERM | HYDRODERM HC | TERRA-CORTRIL NYSTATIN | TIMOCORT | TRI-CICATRIN
Molecular Formula C21H30O5

Additional synonyms for CHEMBL389621 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C) ...
Download SMILES
Standard InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(2 ...
Download InChI
Standard InChI Key JYGXADMDTFJGBT-VWUMJDOOSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL389621

Molecule Features

CHEMBL389621 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:Y Topical:Y Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Glucocorticoid receptor agonist Glucocorticoid receptor PubMed PubMed PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Adrenal Hyperplasia, CongenitalD000312Orphanet:418Congenital adrenal hyperplasia3ClinicalTrials
Bronchopulmonary DysplasiaD001997Orphanet:70589Bronchopulmonary dysplasia3ClinicalTrials
Eye DiseasesD005128EFO:0005752eye inflammation4ATC
ATC
NeoplasmsD009369EFO:0000616neoplasm2ClinicalTrials
Prostatic NeoplasmsD011471EFO:0001663prostate carcinoma3ClinicalTrials
Brain IschemiaD002545HP:0002637Cerebral ischemia2ClinicalTrials
Death, Sudden, CardiacD016757EFO:0004278sudden cardiac arrest3ClinicalTrials
Herpes LabialisD006560EFO:1001347Herpes Labialis3ClinicalTrials
Insulin ResistanceD007333EFO:0002614insulin resistance0ClinicalTrials
Lymphohistiocytosis, HemophagocyticD051359Orphanet:158038Primary hemophagocytic lymphohistiocytosis2ClinicalTrials
LymphomaD008223EFO:0000574lymphoma3ClinicalTrials
Multiple MyelomaD009101EFO:0001378multiple myeloma2ClinicalTrials
ObesityD009765EFO:0001073obesity1ClinicalTrials
Otitis ExternaD0100324DailyMed
DailyMed
Adrenal InsufficiencyD0003092ClinicalTrials
Adrenocortical CarcinomaD018268EFO:0003093adrenocortical carcinoma2ClinicalTrials
AgingD000375GO:0007568aging2ClinicalTrials
Borderline Personality DisorderD001883HP:0012076Borderline personality disorder2ClinicalTrials
Alopecia AreataD000506EFO:0004192alopecia areata3ClinicalTrials
AsthmaD001249EFO:0000270asthma4DailyMed
DailyMed
DailyMed
DailyMed
DailyMed
DailyMed
DailyMed
DailyMed
DailyMed
FDA
Diabetes Mellitus, Type 1D003922EFO:0001359type I diabetes mellitus1ClinicalTrials
Heart FailureD006333EFO:0003144heart failure2ClinicalTrials
HypotensionD007022EFO:0005251hypotension3ClinicalTrials
Addison DiseaseD0002242ClinicalTrials
FibromyalgiaD005356EFO:0005687fibromyalgia0ClinicalTrials
HIV InfectionsD015658EFO:0000764HIV infection0ClinicalTrials
LeukemiaD007938EFO:0000565leukemia3ClinicalTrials
Nasal ObstructionD015508HP:0001742Nasal obstruction4ATC
Oral Submucous FibrosisD009914EFO:1001818oral submucous fibrosis3ClinicalTrials
Shock, SepticD012772EFO:0006834septic shock3ClinicalTrials
Wounds and InjuriesD014947EFO:0000546injury2ClinicalTrials
Colitis, UlcerativeD003093EFO:0000729ulcerative colitis2ClinicalTrials
EczemaD004485HP:0000964Eczema3ClinicalTrials
Leukemia, Mast-CellD007946EFO:0007359mast-cell leukemia2ClinicalTrials
Leukemia, Myeloid, AcuteD015470EFO:0000222acute myeloid leukemia2ClinicalTrials
Liver CirrhosisD008103EFO:0001422cirrhosis of liver3ClinicalTrials
Lymphoma, Large-Cell, AnaplasticD017728EFO:0003032anaplastic large cell lymphoma1ClinicalTrials
Myeloproliferative DisordersD009196EFO:0004251myeloproliferative disorder3ClinicalTrials
Adrenal Hyperplasia, CongenitalD000312Orphanet:90794Classic congenital adrenal hyperplasia due to 21-hydroxylase deficiency3ClinicalTrials
GliomaD005910EFO:0000326central nervous system cancer2ClinicalTrials
Heroin DependenceD006556EFO:0004240heroin dependence1ClinicalTrials
Leukemia, LymphoidD007945EFO:0004289lymphoid leukemia2ClinicalTrials
Myelodysplastic SyndromesD009190EFO:0000198myelodysplastic syndrome3ClinicalTrials
Opioid-Related DisordersD009293EFO:0005611opioid dependence2ClinicalTrials
Prostatic NeoplasmsD011471EFO:0000673prostate adenocarcinoma3ClinicalTrials
SepsisD018805HP:0100806sepsis3ClinicalTrials
AlcoholismD000437EFO:0003829alcohol dependence3ClinicalTrials
Conjunctivitis, AllergicD003233EFO:0007141allergic conjunctivitis2ClinicalTrials
InfectionD007239EFO:0000544infection1ClinicalTrials
MelanomaD008545EFO:0000756melanoma2ClinicalTrials
Myocardial InfarctionD009203EFO:0000612myocardial infarction2ClinicalTrials
Phobic DisordersD010698EFO:1001908phobic disorder2ClinicalTrials
PneumoniaD011014EFO:0003106pneumonia3ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-LymphomaD054198EFO:0000220acute lymphoblastic leukemia3ClinicalTrials

Clinical Data

ClinicalTrials.gov HYDROCORTISONE
The Cochrane Collaboration HYDROCORTISONE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL389621. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 1.000
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 1.000
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 1.000
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 1.000
CHEMBL3056 Androgen Receptor Mus musculus 1.000
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 1.000
CHEMBL1871 Androgen Receptor Homo sapiens 1.000
CHEMBL3456 Progesterone receptor Oryctolagus cuniculus 0.998
CHEMBL3559 Steryl-sulfatase Homo sapiens 0.993
CHEMBL4234 Estradiol 17-beta-dehydrogenase 3 Homo sapiens 0.941
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.676
CHEMBL3401 Pregnane X receptor Homo sapiens 0.588
CHEMBL208 Progesterone receptor Homo sapiens 0.532



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 1.000
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 1.000
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 1.000
CHEMBL2027 Niemann-Pick C1-like protein 1 Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 1.000
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 1.000
CHEMBL3056 Androgen Receptor Mus musculus 1.000
CHEMBL1871 Androgen Receptor Homo sapiens 1.000
CHEMBL3318 Tyrosinase Agaricus bisporus 1.000
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 1.000
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 1.000
CHEMBL1828 DNA polymerase alpha subunit Homo sapiens 0.997
CHEMBL3559 Steryl-sulfatase Homo sapiens 0.989

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
362.5 362.2093 1.78 2 94.83 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.47 - 1.76 1.76 0 26 0.7

Structural Alerts

There are 3 structural alerts for CHEMBL389621. To view alerts please click here.

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C05 - VASOPROTECTIVES
C05A - AGENTS FOR TREATMENT OF HEMORRHOIDS AND ANAL FISSURES FOR TOPICAL USE
C05AA - Corticosteroids
C05AA01 - hydrocortisone

H - SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
H02 - CORTICOSTEROIDS FOR SYSTEMIC USE
H02A - CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
H02AB - Glucocorticoids
H02AB09 - hydrocortisone

A - ALIMENTARY TRACT AND METABOLISM
A01 - STOMATOLOGICAL PREPARATIONS
A01A - STOMATOLOGICAL PREPARATIONS
A01AC - Corticosteroids for local oral treatment
A01AC03 - hydrocortisone

S - SENSORY ORGANS
S02 - OTOLOGICALS
S02B - CORTICOSTEROIDS
S02BA - Corticosteroids
S02BA01 - hydrocortisone

D - DERMATOLOGICALS
D07 - CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
D07A - CORTICOSTEROIDS, PLAIN
D07AA - Corticosteroids, weak (group I)
D07AA02 - hydrocortisone

S - SENSORY ORGANS
S01 - OPHTHALMOLOGICALS
S01B - ANTIINFLAMMATORY AGENTS
S01BA - Corticosteroids, plain
S01BA02 - hydrocortisone

S - SENSORY ORGANS
S01 - OPHTHALMOLOGICALS
S01C - ANTIINFLAMMATORY AGENTS AND ANTIINFECTIVES IN COMBINATION
S01CB - Corticosteroids/antiinfectives/mydriatics in combination
S01CB03 - hydrocortisone

D - DERMATOLOGICALS
D07 - CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
D07X - CORTICOSTEROIDS, OTHER COMBINATIONS
D07XA - Corticosteroids, weak, other combinations
D07XA01 - hydrocortisone

A - ALIMENTARY TRACT AND METABOLISM
A07 - ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
A07E - INTESTINAL ANTIINFLAMMATORY AGENTS
A07EA - Corticosteroids acting locally
A07EA02 - hydrocortisone

R - RESPIRATORY SYSTEM
R01 - NASAL PREPARATIONS
R01A - DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
R01AD - Corticosteroids
R01AD60 - hydrocortisone, combinations

ChemSpider ChemSpider:JYGXADMDTFJGBT-VWUMJDOOSA-N
DailyMed hydrocortisone
PubChem SID: 144204434 SID: 144208013 SID: 170464635 SID: 26751519 SID: 26751520 SID: 29215010 SID: 56422453 SID: 75748 SID: 85148352 SID: 855803 SID: 90341326
Wikipedia Cortisol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL389621



Atlas cortisol hydrocortisone
BindingDB 13775
Brenda 42964 9182 74692 919 37893 86867 104335 44238 104298 49654 104299
ChEBI 17650
ChemicalBook CB9756715
DrugBank DB00741
DrugCentral 1388
eMolecules 29539208 494777 29549844
EPA CompTox Dashboard DTXSID7020714
FDA SRS WI4X0X7BPJ
Guide to Pharmacology 2868
Human Metabolome Database HMDB0000063
IBM Patent System C47730153C69AD55DEA9D7AC37AC2B18
LINCS LSM-5980
LipidMaps LMST02030001
Mcule MCULE-8953627920
Metabolights MTBLC17650
MolPort MolPort-001-794-637
NIH Clinical Collection SAM002264617
Nikkaji J1.908I
PDBe HCY
PharmGKB PA449905
PubChem 5754
PubChem: Drugs of the Future 12013447
PubChem: Thomson Pharma 14852592 14828390
Recon crtsl
Rhea 17650
Selleck Hydrocortisone
SureChEMBL SCHEMBL4148
ZINC ZINC000013540519

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/JYGXADMDTFJGBT-VWUMJDOOSA-N spacer
spacer