Details of the Drug

General Information of Drug (ID: DM7IXH3)

Drug Name
MINAMESTANE
Synonyms FCE-24928; Minamestane; 4-Aminoandrosta-1,4,6-triene-3,17-dione
Indication
Disease Entry ICD 11 Status REF
Bladder cancer 2C94 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 297.4
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C19H23NO2
IUPAC Name
(8R,9S,10R,13S,14S)-4-amino-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-dione
Canonical SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C=CC4=C(C(=O)C=C[C@]34C)N
InChI
InChI=1S/C19H23NO2/c1-18-10-8-15(21)17(20)14(18)4-3-11-12-5-6-16(22)19(12,2)9-7-13(11)18/h3-4,8,10-13H,5-7,9,20H2,1-2H3/t11-,12-,13-,18+,19-/m0/s1
InChIKey
DAKHYLIFCYPHQW-KZQROQTASA-N
Cross-matching ID
PubChem CID
65886
CAS Number
105051-87-4
TTD ID
D0FS9K

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Aromatase (CYP19A1) TTSZLWK CP19A_HUMAN Inhibitor [2]
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 800002545)
2 High-performance liquid chromatographic determination of FCE 24928, a new aromatase inhibitor, in human plasma. J Chromatogr A. 1994 Feb 4;660(1-2):293-8.