Details of the Drug

General Information of Drug (ID: DMJ4H9F)

Drug Name

2-Amino-6-benzenesulfonyl-benzonitrile

Synonyms

2-amino-6-(benzenesulfonyl)benzonitrile; 6-Amino-2-(phenylsulfonyl)benzenecarbonitrile; AC1LAE3B; CHEMBL55271; BDBM1781; CTK7C6577; ZINC5939149; 2-(Phenylsulfonyl)-6-aminobenzonitrile; 2-Amino-6-arylthiobenzonitrile deriv. 3a

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

258.3

Logarithm of the Partition Coefficient (xlogp)

2.3

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C13H10N2O2S
IUPAC Name: 2-amino-6-(benzenesulfonyl)benzonitrile
Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC(=C2C#N)N
InChI: InChI=1S/C13H10N2O2S/c14-9-11-12(15)7-4-8-13(11)18(16,17)10-5-2-1-3-6-10/h1-8H,15H2
InChIKey: HVMPJKPAYPLWJZ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 486347
TTD ID: D0X2IG

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]

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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.