Details of the Drug

General Information of Drug (ID: DM8O6AC)

Drug Name
2-Amino-6-(2-cyano-benzenesulfinyl)-benzonitrile
Synonyms
CHEMBL294212; 6-Amino-2-[(2-cyanophenyl)sulfinyl]benzenecarbonitrile; AC1LAE2N; BDBM1765; CTK7C8877; 6-Amino[2,2'-sulfinylbisbenzonitrile]; 2-Amino-6-arylthiobenzonitrile deriv. 2j; 2-amino-6-(2-cyanophenyl)sulfinylbenzonitrile; 2-amino-6-(2-cyanophenyl)sulfinyl-benzonitrile
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 267.31
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C14H9N3OS
IUPAC Name
2-amino-6-(2-cyanophenyl)sulfinylbenzonitrile
Canonical SMILES
C1=CC=C(C(=C1)C#N)S(=O)C2=CC=CC(=C2C#N)N
InChI
InChI=1S/C14H9N3OS/c15-8-10-4-1-2-6-13(10)19(18)14-7-3-5-12(17)11(14)9-16/h1-7H,17H2
InChIKey
SAAMTBNDGHUYAE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
486339
TTD ID
D09GYC

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 2-Amino-6-arylsulfonylbenzonitriles as non-nucleoside reverse transcriptase inhibitors of HIV-1. J Med Chem. 2001 Jun 7;44(12):1866-82.