TELAPRISTONE ACETATE

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Synonyms
Status
Molecule Category Free-form
UNII 1K9EYK92PQ
EPA CompTox DTXSID60173587

Structure

InChI Key JVBGZFRPTRKSBB-MJBQOYBXSA-N
Smiles COCC(=O)[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C
InChI
InChI=1S/C31H39NO5/c1-19(33)37-31(28(35)18-36-5)15-14-27-25-12-8-21-16-23(34)11-13-24(21)29(25)26(17-30(27,31)2)20-6-9-22(10-7-20)32(3)4/h6-7,9-10,16,25-27H,8,11-15,17-18H2,1-5H3/t25-,26+,27-,30-,31-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H39NO5
Molecular Weight 505.66
AlogP 5.17
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 6.0
Polar Surface Area 72.91
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 37.0

Pharmacology

Mechanism of Action Action Reference
Progesterone receptor modulator MODULATOR PubMed Wikipedia Other

Target Conservation

Protein: Progesterone receptor
Description: Progesterone receptor
Organism : Homo sapiens
P06401 ENSG00000082175

Cross References

Resources Reference
ChEMBL CHEMBL2105694
DrugBank DB05253
FDA SRS 1K9EYK92PQ
SureChEMBL SCHEMBL374762
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