Details of the Drug

General Information of Drug (ID: DMWZXF7)

Drug Name

ORG-33628

Synonyms

11beta-(4-Acetylphenyl)-3'-methylenespiro[estra-4,9-dien-17(R),2'-tetrahydrofuran]-3-one

Indication

Disease Entry	ICD 11	Status	REF
Contraception	QA21	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

442.6

Logarithm of the Partition Coefficient (xlogp)

3.5

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C30H34O3
IUPAC Name: (8S,11R,13S,14S,17R)-11-(4-acetylphenyl)-13-methyl-3'-methylidenespiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-3-one
Canonical SMILES: CC(=O)C1=CC=C(C=C1)[C@H]2C[C@]3([C@@H](CC[C@@]34C(=C)CCO4)[C@H]5C2=C6CCC(=O)C=C6CC5)C
InChI: InChI=1S/C30H34O3/c1-18-13-15-33-30(18)14-12-27-25-10-8-22-16-23(32)9-11-24(22)28(25)26(17-29(27,30)3)21-6-4-20(5-7-21)19(2)31/h4-7,16,25-27H,1,8-15,17H2,2-3H3/t25-,26+,27-,29-,30+/m0/s1
InChIKey: YNWTZVKFWBTFFE-ONBAZCQBSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800018847)
2	ORG 33628 and ORG 31710 to control vaginal bleeding in progestin-only contraceptive regimens. Semin Reprod Med. 2005 Feb;23(1):101-11.