CORTICOSTERONE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: W980KJ009P

Structure
InChI Key OMFXVFTZEKFJBZ-HJTSIMOOSA-N
Smile C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO
InChI
InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H30O4
Molecular Weight 346.47
AlogP 2.67
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 74.6
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 25.0

Pharmacology

Primary Target
Glucocorticoid receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 8-15
Membrane receptor
- - - 35600 -
Secreted protein
- - 457 13-63 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 2
- - 1 - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 4
- 23442 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 34

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteoarthritis, Hip 3 D015207 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 50-22-6
ChEBI 16827
ChEMBL CHEMBL110739
DrugBank DB04652
EPA CompTox DTXSID6022474
FDA SRS W980KJ009P
Human Metabolome Database HMDB0001547
Guide to Pharmacology 2869
KEGG C02140
PDB C0R
PubChem 5753
SureChEMBL SCHEMBL22612
ZINC ZINC000013513592
CONTENTS