Details of the Drug

General Information of Drug (ID: DMXPWHF)

Drug Name

2-Amino-6-(naphthalene-1-sulfonyl)-benzonitrile

Synonyms

CHEMBL297956; BDBM50422688; ZINC12354034

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)

308.4

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C17H12N2O2S
IUPAC Name: 2-amino-6-naphthalen-1-ylsulfonylbenzonitrile
Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)C3=CC=CC(=C3C#N)N
InChI: InChI=1S/C17H12N2O2S/c18-11-14-15(19)8-4-10-17(14)22(20,21)16-9-3-6-12-5-1-2-7-13(12)16/h1-10H,19H2
InChIKey: BMSIRAVUGDDUKN-UHFFFAOYSA-N

Cross-matching ID

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)

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.