Details of the Drug

General Information of Drug (ID: DM63G4R)

Drug Name
NSC-625487
Synonyms 1-(2,6-Difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole
Indication
Disease Entry ICD 11 Status REF
Human immunodeficiency virus infection 1C62 Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 288.32
Logarithm of the Partition Coefficient (xlogp) 3.6
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C15H10F2N2S
IUPAC Name
1-(2,6-difluorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
Canonical SMILES
C1C2=NC3=CC=CC=C3N2C(S1)C4=C(C=CC=C4F)F
InChI
InChI=1S/C15H10F2N2S/c16-9-4-3-5-10(17)14(9)15-19-12-7-2-1-6-11(12)18-13(19)8-20-15/h1-7,15H,8H2
InChIKey
AMLBAOPYPUXEQF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
122665
CAS Number
138226-12-7
TTD ID
D04MYC
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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 [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Synthesis and biological activity of novel 1H,3H-thiazolo[3,4-a]benzimidazoles: non-nucleoside human immunodeficiency virus type 1 reverse transcriptase inhibitors. Antivir Chem Chemother. 1999 Jul;10(4):211-7.