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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL110739
CHEMBL110739
Compound Name CORTICOSTERONE
ChEMBL Synonyms Preg-4-ene-3,20-dione,11-b,21-dihydroxy- | Corticosteron | 11-b,21-Dihydroxypregn-3,20-dione | 17-Deoxycortisol
Max Phase 0
Trade Names
Molecular Formula C21H30O4

Additional synonyms for CHEMBL110739 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[ ...
Download SMILES
Standard InChI InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(1 ...
Download InChI
Standard InChI Key OMFXVFTZEKFJBZ-HJTSIMOOSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL110739

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
346.5 346.2144 2.02 2 74.59 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.98 - 1.95 1.95 0 25 0.8

Structural Alerts

There are 3 structural alerts for CHEMBL110739. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OMFXVFTZEKFJBZ-HJTSIMOOSA-N
PubChem SID: 144204430 SID: 144208564 SID: 144213947 SID: 170466845 SID: 17389502 SID: 26751495 SID: 56423132 SID: 855741 SID: 90341091
Wikipedia Corticosterone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL110739



ACToR 50-22-6
BindingDB 50170653
Brenda 105741 74691 105740 133126 48438 90650 1103
ChEBI 16827
DrugBank DB04652
eMolecules 493533
EPA CompTox Dashboard DTXSID6022474
FDA SRS W980KJ009P
Guide to Pharmacology 2869
Human Metabolome Database HMDB01547
IBM Patent System 783721100E75C9234F76817A9785BC2C
KEGG Ligand C02140
LINCS LSM-5814
LipidMaps LMST02030186
Mcule MCULE-1874567277
Metabolights MTBLC16827
MolPort MolPort-002-512-114
NIH Clinical Collection SAM001246879
Nikkaji J5.239F
PDBe C0R
PubChem 5753
PubChem: Thomson Pharma 53834312
Recon crtstrn
SureChEMBL SCHEMBL22612
ZINC ZINC000013513592

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