CORTICOSTERONE

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Synonyms
Status
Molecule Category Free-form
UNII W980KJ009P
EPA CompTox DTXSID6022474

Structure

InChI Key OMFXVFTZEKFJBZ-HJTSIMOOSA-N
Smiles 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

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 8.1-14.9
Secreted protein
- - 457.09 13.18-63.1 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 2
- - 0.5 - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 33.5
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - 0.5-457.09 - 8.1-33.5

Related Entries

Cross References

Resources Reference
ChEBI 16827
ChEMBL CHEMBL110739
DrugBank DB04652
FDA SRS W980KJ009P
Human Metabolome Database HMDB0001547
Guide to Pharmacology 2869
KEGG C02140
PDB C0R
PubChem 5753
SureChEMBL SCHEMBL22612
ZINC ZINC000013513592
CONTENTS