Details of the Drug

General Information of Drug (ID: DMKU469)

Drug Name
DMP-963
Synonyms DPC-963; 4(S)-(2-Cyclopropylethynyl)-5,6-difluoro-4-(trifluoromethyl)-3,4-dihydro-1H-quinazolin-2-one
Indication
Disease Entry ICD 11 Status REF
Human immunodeficiency virus infection 1C62 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 316.23
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C14H9F5N2O
IUPAC Name
(4S)-4-(2-cyclopropylethynyl)-5,6-difluoro-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one
Canonical SMILES
C1CC1C#C[C@]2(C3=C(C=CC(=C3F)F)NC(=O)N2)C(F)(F)F
InChI
InChI=1S/C14H9F5N2O/c15-8-3-4-9-10(11(8)16)13(14(17,18)19,21-12(22)20-9)6-5-7-1-2-7/h3-4,7H,1-2H2,(H2,20,21,22)/t13-/m0/s1
InChIKey
QCNJQJJFXFJVCX-ZDUSSCGKSA-N
Cross-matching ID
PubChem CID
474121
CAS Number
214287-90-8
TTD ID
D04NFB

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Human immunodeficiency virus Reverse transcriptase (HIV RT) TT84ETX POL_HV1B1 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 800011151)
2 Effect of drug substance particle size on the characteristics of granulation manufactured in a high-shear mixer. AAPS PharmSciTech. 2000 December; 1(4): 55-61.