HYDROCORTISONE

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
ATC A01AC03 A07EA02 C05AA01 D07AA02 D07XA01 H02AB09 S01BA02 S01CB03 S02BA01
UNII WI4X0X7BPJ
EPA CompTox DTXSID7020714

Structure

InChI Key JYGXADMDTFJGBT-VWUMJDOOSA-N
Smiles C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
InChI
InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H30O5
Molecular Weight 362.47
AlogP 1.78
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 94.83
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
Glucocorticoid receptor agonist AGONIST PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 10.3
Secreted protein
- - 630.96 13.18 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 1
- 25.12 43 - -23-69
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 SLC21/SLCO family of organic anion transporting polypeptides
- - - - 98.24-113.79
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- - - - 0
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 98.24-113.79
Homo sapiens
- - 0.5-630.96 - -23-69
Mus musculus
- 10-61 43 - 21-99
Rattus norvegicus
- 25.12 - - -16.4-51

Target Conservation

Protein: Glucocorticoid receptor
Description: Glucocorticoid receptor
Organism : Homo sapiens
P04150 ENSG00000113580

Related Entries

Cross References

Resources Reference
ChEBI 17650
ChEMBL CHEMBL389621
DrugBank DB00741
DrugCentral 1388
FDA SRS WI4X0X7BPJ
Human Metabolome Database HMDB0000063
Guide to Pharmacology 2868
KEGG C08176
PDB HCY
PharmGKB PA449905
PubChem 5754
SureChEMBL SCHEMBL4148
ZINC ZINC000013540519
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