ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1434
CHEMBL1434
Compound Name MINOCYCLINE
ChEMBL Synonyms DYNACIN | DENTOMYCIN | SEBOMIN | SEBREN MR | BLEMIX 100 | XIMINO | MINOLIRA | AKNEMIN 50 | MINOCIN MR | MINOCYCLINE | MINOCIN | BLEMIX 50 | ARESTIN | AKNEMIN | ACNAMINO | SOLODYN | MINOCIN 50 | MINOCYCLINE HYDROCHLORIDE | CYCLOMIN | MINOGAL
Max Phase 4 (Approved)
Trade Names MINOLIRA | SEBOMIN | SEBREN MR | SOLODYN | ACNAMINO | AKNEMIN | ARESTIN | BLEMIX 50 | MINOCIN | CYCLOMIN | BLEMIX 100 | XIMINO | DENTOMYCIN | DYNACIN | MINOGAL | AKNEMIN 50 | MINOCIN 50 | MINOCYCLINE HYDROCHLORIDE | MINOCIN MR
Molecular Formula C23H27N3O7

Additional synonyms for CHEMBL1434 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(O)c4C(=O)C3=C(O)[C@]2(O)C ...
Download SMILES
Standard InChI InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-1 ...
Download InChI
Standard InChI Key DYKFCLLONBREIL-KVUCHLLUSA-N

Sources

  • British National Formulary
  • Drugs for Neglected Diseases Initiative (DNDi)
  • Gene Expression Atlas Compounds
  • 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


CHEMBL1434

Molecule Features

CHEMBL1434 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
Bacterial 70S ribosome inhibitor Bacterial 70S ribosome KEGG PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Bacterial InfectionsD001424EFO:0000771bacterial disease4ATC
Carcinoma, Non-Small-Cell LungD002289EFO:0003060non-small cell lung carcinoma1ClinicalTrials
Esophageal NeoplasmsD004938EFO:0002916esophageal carcinoma2ClinicalTrials
Multiple SclerosisD009103EFO:0003885multiple sclerosis3ClinicalTrials
Multiple Sclerosis, Relapsing-RemittingD020529EFO:0003929relapsing-remitting multiple sclerosis2ClinicalTrials
Oropharyngeal NeoplasmsD009959EFO:1001931oropharynx cancer2ClinicalTrials
OsteomyelitisD010019EFO:0003102osteomyelitis0ClinicalTrials
ClinicalTrials
PneumothoraxD011030HP:0002108spontaneous pneumothorax3ClinicalTrials
Acne VulgarisD000152EFO:0003894acne3ClinicalTrials
Amyotrophic Lateral SclerosisD000690EFO:0000253amyotrophic lateral sclerosis3ClinicalTrials
Cell DeathD016923GO:0008219cell death1ClinicalTrials
Cerebral HemorrhageD002543EFO:0005669intracerebral hemorrhage1ClinicalTrials
Cholangitis, SclerosingD015209EFO:0004268sclerosing cholangitis1ClinicalTrials
Colorectal NeoplasmsD015179EFO:1001951colorectal carcinoma2ClinicalTrials
HemorrhageD006470MP:0001914hemorrhage1ClinicalTrials
Heroin DependenceD006556EFO:0004240heroin dependence3ClinicalTrials
Macular DegenerationD008268EFO:0001365age-related macular degeneration2ClinicalTrials
PainD010146EFO:0003843pain2ClinicalTrials
Pancreatic NeoplasmsD010190EFO:0002618pancreatic carcinoma2ClinicalTrials
PneumoniaD011014EFO:0003106pneumonia1ClinicalTrials
Psychotic DisordersD011618EFO:0005407psychosis3ClinicalTrials
RosaceaD012393EFO:1000760rosacea2ClinicalTrials
Angelman SyndromeD017204Orphanet:72Angelman syndrome2ClinicalTrials
Fragile X SyndromeD005600Orphanet:908Fragile X syndrome2ClinicalTrials
Head and Neck NeoplasmsD006258EFO:0006859head and neck malignant neoplasia2ClinicalTrials
Huntington DiseaseD006816Orphanet:399Huntington disease2ClinicalTrials
HypertensionD006973EFO:0000537hypertension1ClinicalTrials
Periapical PeriodontitisD010485EFO:1001391Periapical Periodontitis1ClinicalTrials
Retinal Vein OcclusionD012170EFO:1001157retinal vein occlusion1ClinicalTrials
Skin DiseasesD012871EFO:0000701skin disease1ClinicalTrials
Diabetic RetinopathyD003930EFO:0003770diabetic retinopathy1ClinicalTrials
HIV InfectionsD015658EFO:0000764HIV infection2ClinicalTrials
Idiopathic Pulmonary FibrosisD054990EFO:0000768idiopathic pulmonary fibrosis3ClinicalTrials
NeuralgiaD009437EFO:0005762neuropathic pain2ClinicalTrials
StrokeD020521EFO:0000712stroke2ClinicalTrials
AlcoholismD000437EFO:0003829alcohol dependence1ClinicalTrials
Arthritis, RheumatoidD001172EFO:0000685rheumatoid arthritis3ClinicalTrials
GlioblastomaD005909EFO:0000519glioblastoma multiforme1ClinicalTrials
GliomaD005910EFO:0000326central nervous system cancer1ClinicalTrials
Multiple MyelomaD009101EFO:0001378multiple myeloma2ClinicalTrials
Parkinson DiseaseD010300EFO:0002508Parkinson's disease2ClinicalTrials
PeriodontitisD010518EFO:0000649periodontitis3ClinicalTrials
ClinicalTrials
Spinal Cord InjuriesD013119EFO:1001919Spinal cord injury3ClinicalTrials
AsthmaD001249EFO:0000270asthma2ClinicalTrials
Bipolar DisorderD001714EFO:0000289bipolar disorder3ClinicalTrials
Lichen PlanusD008010EFO:1000726lichen planus3ClinicalTrials
Obsessive-Compulsive DisorderD009771EFO:0004242obsessive-compulsive disorder2ClinicalTrials
Breast NeoplasmsD001943EFO:0000305breast carcinoma2ClinicalTrials
Child Development Disorders, PervasiveD002659EFO:0003756autism spectrum disorder1ClinicalTrials
Depressive DisorderD003866EFO:0003761unipolar depression3ClinicalTrials
InfectionD007239EFO:0000544infection4ATC
ClinicalTrials
Lung NeoplasmsD008175EFO:0001071lung carcinoma2ClinicalTrials
Peri-ImplantitisD057873EFO:1001390Peri-Implantitis3ClinicalTrials
SchizophreniaD012559EFO:0000692schizophrenia3ClinicalTrials
Carotid StenosisD016893EFO:0002615internal carotid artery stenosis2ClinicalTrials
ImpetigoD007169EFO:1000714impetigo2ClinicalTrials
Neurobehavioral ManifestationsD019954EFO:0004364neurobehavioral manifestations3ClinicalTrials
Psychotic DisordersD011618EFO:0005411schizoaffective disorder3ClinicalTrials
Retinal DetachmentD012163EFO:0005773retinal detachment2ClinicalTrials
Retinitis PigmentosaD012174Orphanet:791Retinitis pigmentosa1ClinicalTrials
Wounds and InjuriesD014947EFO:0000546injury1ClinicalTrials

Clinical Data

ClinicalTrials.gov MINOCYCLINE
The Cochrane Collaboration MINOCYCLINE

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 CHEMBL1434. 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
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.999
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 0.914
CHEMBL233 Mu opioid receptor Homo sapiens 0.898
CHEMBL2916 Telomerase reverse transcriptase Homo sapiens 0.849
CHEMBL2186 Carbonic anhydrase XIII Mus musculus 0.792
CHEMBL4159 Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens 0.764
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.721
CHEMBL3041 Mu opioid receptor Bos taurus 0.453
CHEMBL1293226 Lysine-specific demethylase 4D-like Homo sapiens 0.252
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 0.239



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5990 Breast cancer type 1 susceptibility protein Homo sapiens 1.000
CHEMBL6144 G protein-coupled receptor kinase 6 Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 1.000
CHEMBL233 Mu opioid receptor Homo sapiens 0.994
CHEMBL1293226 Lysine-specific demethylase 4D-like Homo sapiens 0.994
CHEMBL4695 Fructose-bisphosphate aldolase A Oryctolagus cuniculus 0.991
CHEMBL2885 Carbonic anhydrase III Homo sapiens 0.984
CHEMBL1795167 Toll-like receptor 4 Mus musculus 0.945
CHEMBL1743122 Solute carrier family 22 member 2 Homo sapiens 0.900
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.899
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 0.873
CHEMBL1806 DNA topoisomerase II alpha Homo sapiens 0.793
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 0.765
CHEMBL236 Delta opioid receptor Homo sapiens 0.763
CHEMBL3834 Tyrosine-protein kinase BMX Homo sapiens 0.754
CHEMBL5800 Falcipain 2 Plasmodium falciparum 0.709
CHEMBL2980 Arachidonate 5-lipoxygenase Bos taurus 0.566
CHEMBL1741221 Cysteine protease ATG4B Homo sapiens 0.489
CHEMBL5784 NUAK family SNF1-like kinase 1 Homo sapiens 0.485

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
457.5 457.1849 0.19 3 164.63 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 5 0 10 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.5 11.06 2.12 -.65 1 33 0.4

Structural Alerts

There are 2 structural alerts for CHEMBL1434. To view alerts please click here.

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01A - TETRACYCLINES
J01AA - Tetracyclines
J01AA08 - minocycline

A - ALIMENTARY TRACT AND METABOLISM
A01 - STOMATOLOGICAL PREPARATIONS
A01A - STOMATOLOGICAL PREPARATIONS
A01AB - Antiinfectives and antiseptics for local oral treatment
A01AB23 - minocycline

ChemSpider ChemSpider:DYKFCLLONBREIL-KVUCHLLUSA-N
DailyMed minocycline hydrochloride
PubChem SID: 144207192
Wikipedia Minocycline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1434



ACToR 10118-90-8
ChEBI 50694 77906
DrugBank DB01017
DrugCentral 1813
EPA CompTox Dashboard DTXSID1045033
FDA SRS FYY3R43WGO
Human Metabolome Database HMDB0015152
KEGG Ligand C07225
LipidMaps LMPK07000002
Metabolights MTBLC77906 MTBLC50694
MolPort MolPort-020-005-814
Nikkaji J8.983D
PDBe MIY
PubChem: Thomson Pharma 14808929 14931367
Rhea 77906
SureChEMBL SCHEMBL4042
ZINC ZINC000014879992

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