Structure

InChI Key HKDLNTKNLJPAIY-WKWWZUSTSA-N
Smile CC(=O)[C@@]1(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/C28H35NO3/c1-17(30)28(32)14-13-25-23-11-7-19-15-21(31)10-12-22(19)26(23)24(16-27(25,28)2)18-5-8-20(9-6-18)29(3)4/h5-6,8-9,15,23-25,32H,7,10-14,16H2,1-4H3/t23-,24+,25-,27-,28-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H35NO3
Molecular Weight 433.59
AlogP 4.97
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 57.61
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 32.0

Pharmacology

Action Mechanism of Action Reference
MODULATOR Progesterone receptor modulator PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Myoma 3 D009214 ClinicalTrials
Leiomyoma 2 D007889 ClinicalTrials

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
CAS NUMBER 159811-51-5
ChEMBL CHEMBL2103846
DrugBank DB08867
FDA SRS 6J5J15Q2X8
PubChem 13559281
SureChEMBL SCHEMBL545159
ZINC ZINC000034089131