Details of the Drug

General Information of Drug (ID: DMOCMXH)

Drug Name
FLOSATIDIL
Synonyms Flosatidil; SL-85.1016-08; N-[2-(Dimethylamino)ethyl]-N-[2-[N-[2-(methylthio)phenyl]-N-(3-trifluoromethylbenzyl)amino]-2-oxoethyl]carbamic acid 2-methylpropyl ester
Indication
Disease Entry ICD 11 Status REF
Angina pectoris BA40 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 3 Molecular Weight (mw) 525.6
Logarithm of the Partition Coefficient (xlogp) 5.5
Rotatable Bond Count (rotbonds) 12
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C26H34F3N3O3S
IUPAC Name
2-methylpropyl N-[2-(dimethylamino)ethyl]-N-[2-[2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]anilino]-2-oxoethyl]carbamate
Canonical SMILES
CC(C)COC(=O)N(CCN(C)C)CC(=O)N(CC1=CC(=CC=C1)C(F)(F)F)C2=CC=CC=C2SC
InChI
InChI=1S/C26H34F3N3O3S/c1-19(2)18-35-25(34)31(14-13-30(3)4)17-24(33)32(22-11-6-7-12-23(22)36-5)16-20-9-8-10-21(15-20)26(27,28)29/h6-12,15,19H,13-14,16-18H2,1-5H3
InChIKey
MJOGWNMYQLVUOU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
216223
CAS Number
113593-34-3
TTD ID
D0TX8Z

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Calcium channel unspecific (CaC) TT5HONZ NOUNIPROTAC Antagonist [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 800005965)
2 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015