Details of the Drug

General Information of Drug (ID: DM3VJEZ)

Drug Name

2-Amino-6-(2-bromo-benzenesulfonyl)-benzonitrile

Synonyms

AC1LA8EL; 2-Amino-6-(2-bromo-benzenesulfonyl)-benzonitrile; BDBM1791; CHEMBL293780; CTK7C6578; ZINC5933963; 2-Amino-6-arylthiobenzonitrile deriv. 3k; 2-(2-Bromophenylsulfonyl)-6-aminobenzonitrile; 2-amino-6-(2-bromophenyl)sulfonylbenzonitrile; 2-amino-6-(2-bromophenyl)sulfonyl-benzonitrile; 2-amino-6-[(2-bromophenyl)sulfonyl]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)

337.19

Logarithm of the Partition Coefficient (xlogp)

3

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C13H9BrN2O2S
IUPAC Name: 2-amino-6-(2-bromophenyl)sulfonylbenzonitrile
Canonical SMILES: C1=CC=C(C(=C1)S(=O)(=O)C2=CC=CC(=C2C#N)N)Br
InChI: InChI=1S/C13H9BrN2O2S/c14-10-4-1-2-6-13(10)19(17,18)12-7-3-5-11(16)9(12)8-15/h1-7H,16H2
InChIKey: WBNCALTXWWEQQV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 483455
TTD ID: D0X4SF

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)

MIA Detail

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.