HYDROXYPROGESTERONE

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Synonyms
Status
Molecule Category Free-form
ATC G03DA03
UNII 21807M87J2
EPA CompTox DTXSID6040747

Structure

InChI Key DBPWSSGDRRHUNT-CEGNMAFCSA-N
Smiles CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChI
InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H30O3
Molecular Weight 330.47
AlogP 3.84
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 54.37
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 24.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 20.8
Secreted protein
- - 100 18.2 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 106.59-111.38
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 106.59-111.38
Homo sapiens
- - 100 - 20.8

Cross References

Resources Reference
ChEBI 17252
ChEMBL CHEMBL1062
DrugBank DB14570
FDA SRS 21807M87J2
Human Metabolome Database HMDB0000374
Guide to Pharmacology 5104
KEGG C01176
PDB 3QZ
SureChEMBL SCHEMBL8068
ZINC ZINC000005434436
CONTENTS