HYDROXYPROGESTERONE CAPROATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1975)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 276F2O42F5

Structure
InChI Key DOMWKUIIPQCAJU-LJHIYBGHSA-N
Smile CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChI
InChI=1S/C27H40O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h17,21-23H,5-16H2,1-4H3/t21-,22+,23+,25+,26+,27+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H40O4
Molecular Weight 428.61
AlogP 5.97
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 60.44
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Progesterone receptor agonist PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 41

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Premature Birth 4 D047928 ClinicalTrials
Pregnancy 3 D011247 ClinicalTrials

Related Entries

MCS

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Pregnancy, puerperium and perinatal conditions
24.29
General disorders and administration site conditions
18.51
Injury, poisoning and procedural complications
17.67
Skin and subcutaneous tissue disorders
8.92
Nervous system disorders
4.29
Vascular disorders
3.65
Gastrointestinal disorders
3.51
Musculoskeletal and connective tissue disorders
3.22
Cardiac disorders
2.32
Reproductive system and breast disorders
2.3

Cross References

Resources Reference
CAS NUMBER 630-56-8
ChEBI 5812
ChEMBL CHEMBL1200848
DrugBank DB06789
DrugCentral 4189
EPA CompTox DTXSID6043915
FDA SRS 276F2O42F5
KEGG C08148
PubChem 169870
SureChEMBL SCHEMBL5330
ZINC ZINC000004083606
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