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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1504
CHEMBL1504
Compound Name TRIAMCINOLONE ACETONIDE
ChEMBL Synonyms AZMACORT | KENALOG | Kenacourt | ORALONE | TRIAMCINOLONE ACETONIDE | Kenalog in orabase | TRIDERM | Vetalog | NASACORT | Triamcinolone acetonide in absorbase | Aristocort a | Aristogel | KENACORT | Kenalog-h | Triesence | Flutex | TRIACET | Tri-nasal | Triatex | Trymex | ALLERNAZE | ARISTOCORT | Kenalog-40 | Kenalog-10 | Nasacort hfa | Oracort | TRIVARIS | Nasacort AQ | Triacort
Max Phase 4 (Approved)
Trade Names NASACORT | Triamcinolone acetonide in absorbase | Vetalog | Kenalog in orabase | TRIDERM | AZMACORT | KENALOG | ORALONE | Nasacort AQ | TRIVARIS | Triamcinolone acetonide | Kenalog-10 | Nasacort hfa | Oracort | Triacort | ALLERNAZE | ARISTOCORT | Kenalog-40 | Flutex | TRIACET | Tri-nasal | Triatex | Trymex | Aristocort a | Aristogel | KENACORT | Kenalog-h | Triesence
Molecular Formula C24H31FO6

Additional synonyms for CHEMBL1504 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[ ...
Download SMILES
Standard InChI InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8 ...
Download InChI
Standard InChI Key YNDXUCZADRHECN-JNQJZLCISA-N

Sources

  • British National Formulary
  • Curated Drug Pharmacokinetic Data
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1504

Molecule Features

CHEMBL1504 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:Y Topical:Y Black Box:Y Availability Type:Over-The-Counter

Mechanism of Action

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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
ALOPECIA AREATAD000506EFO:0004192ALOPECIA AREATA2ClinicalTrials
DUPUYTREN CONTRACTURED004387EFO:0004229DUPUYTREN CONTRACTURE3ClinicalTrials
OPTIC NEUROPATHY, ISCHEMICD018917EFO:1000809ANTERIOR ISCHEMIC OPTIC NEUROPATHY3ClinicalTrials
OSTEOARTHRITIS, KNEED020370EFO:0004616OSTEOARTHRITIS, KNEE3ClinicalTrials
RETINAL VEIN OCCLUSIOND012170EFO:1001157RETINAL VEIN OCCLUSION2ClinicalTrials
GOUTD006073EFO:0004274GOUT3ClinicalTrials
MACULAR EDEMAD008269HP:0040049MACULAR EDEMA2ClinicalTrials
CATARACTD002386EFO:0001059CATARACT2ClinicalTrials
VITILIGOD014820EFO:0004208VITILIGO2ClinicalTrials
FIBROSISD005355EFO:0006890FIBROSIS1ClinicalTrials
PAIND010146EFO:0003843PAIN2ClinicalTrials
RHINITISD012220HP:0012384RHINITIS3ClinicalTrials
UVEITISD014605EFO:1001231UVEITIS3ClinicalTrials
BURSITISD002062EFO:1000941FROZEN SHOULDER3ClinicalTrials
DIABETIC RETINOPATHYD003930EFO:0003770DIABETIC RETINOPATHY3ClinicalTrials
GLAUCOMAD005901EFO:0000516GLAUCOMA2ClinicalTrials
LICHEN PLANUSD008010EFO:1000726LICHEN PLANUS4ClinicalTrials
MACULAR EDEMAD008269HP:0011505CYSTOID MACULAR EDEMA2ClinicalTrials
RHINITIS, ALLERGIC, SEASONALD006255EFO:0003956SEASONAL ALLERGIC RHINITIS3ClinicalTrials

Clinical Data

ClinicalTrials.gov TRIAMCINOLONE ACETONIDE
The Cochrane Collaboration TRIAMCINOLONE ACETONIDE

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 CHEMBL1504. 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
CHEMBL3305 Testis-specific androgen-binding protein Homo sapiens 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 1.000
CHEMBL3072 Androgen Receptor Rattus norvegicus 0.986
CHEMBL3056 Androgen Receptor Mus musculus 0.832
CHEMBL208 Progesterone receptor Homo sapiens 0.599
CHEMBL4718 MAP kinase-interacting serine/threonine-protein kinase MNK1 Homo sapiens 0.517
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.306
CHEMBL1741176 X-box-binding protein 1 Homo sapiens 0.269
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.226



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL3305 Testis-specific androgen-binding protein Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 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
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 1.000
CHEMBL3491 Cytochrome P450 2J2 Homo sapiens 1.000
CHEMBL2027 Niemann-Pick C1-like protein 1 Homo sapiens 0.999
CHEMBL1806 DNA topoisomerase II alpha Homo sapiens 0.977
CHEMBL5990 Breast cancer type 1 susceptibility protein Homo sapiens 0.971
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.960
CHEMBL1828 DNA polymerase alpha subunit Homo sapiens 0.709
CHEMBL2873 Mitogen-activated protein kinase kinase kinase 10 Homo sapiens 0.317
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.242

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
434.5 434.2105 1.16 2 93.06 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.87 - 2.43 2.43 0 31 0.68

Structural Alerts

There are 5 structural alerts for CHEMBL1504. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YNDXUCZADRHECN-JNQJZLCISA-N
DailyMed triamcinolone acetonide
PubChem SID: 144204436 SID: 144208993 SID: 144213331 SID: 170464660 SID: 29215012 SID: 56423119 SID: 855857
Wikipedia Triamcinolone_acetonide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1504



ACToR 13586-95-3
ChEBI 71418
DrugCentral 2726
eMolecules 36754828 31590384 594687
EPA CompTox Dashboard DTXSID6021371
FDA SRS F446C597KA
Guide to Pharmacology 2867
IBM Patent System 58540AB99674651484BD62BB709C2FE2
KEGG Ligand C08183
LINCS LSM-5641
MolPort MolPort-002-529-154
NIH Clinical Collection SAM002564237
Nikkaji J55.714E
PDBe 1TA
PubChem 6436
PubChem: Thomson Pharma 14856756 14856757
Selleck Triamcinolone-Acetonide
SureChEMBL SCHEMBL4689
ZINC ZINC000003875481

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