Details of the Drug

General Information of Drug (ID: DM3C0P2)

Drug Name

N-Benzyl-2-(toluene-4-sulfonylamino)-benzamide

Synonyms

CHEMBL94764; AC1Q2LMI; N-Benzyl-2-(toluene-4-sulfonylamino)-benzamide; AC1MT671; ZINC5121035; BDBM50146383; AKOS003681368; MCULE-1042732308; N-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide

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)

380.5

Logarithm of the Partition Coefficient (xlogp)

4.1

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C21H20N2O3S
IUPAC Name: N-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide
Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3
InChI: InChI=1S/C21H20N2O3S/c1-16-11-13-18(14-12-16)27(25,26)23-20-10-6-5-9-19(20)21(24)22-15-17-7-3-2-4-8-17/h2-14,23H,15H2,1H3,(H,22,24)
InChIKey: ASKBFNKCMLTGPX-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3545567
TTD ID: D0I2NX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated potassium channel Kv1.5 (KCNA5)	TTW0CMT	KCNA5_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Pharmacophore-based search, synthesis, and biological evaluation of anthranilic amides as novel blockers of the Kv1.5 channel. Bioorg Med Chem Lett. 2004 Jun 7;14(11):2823-7.