Details of the Drug

General Information of Drug (ID: DM1BU5P)

Drug Name

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

Synonyms

CHEMBL314328; AC1OUGMN; Oprea1_191889; N-Phenethyl-2-(toluene-4-sulfonylamino)-benzamide; MolPort-003-205-548; ZINC5882219; STK825561; BDBM50146384; AKOS000952939; MCULE-7382886996; 2-[(4-methylphenyl)sulfonylamino]-N-phenethylbenzamide; 2-{[(4-methylphenyl)sulfonyl]amino}-N~1~-phenethylbenzamide

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)

394.5

Logarithm of the Partition Coefficient (xlogp)

4.6

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C22H22N2O3S
IUPAC Name: 2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3
InChI: InChI=1S/C22H22N2O3S/c1-17-11-13-19(14-12-17)28(26,27)24-21-10-6-5-9-20(21)22(25)23-16-15-18-7-3-2-4-8-18/h2-14,24H,15-16H2,1H3,(H,23,25)
InChIKey: QLFGNZRFLMFTDF-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 7824621
CAS Number: 19007-51-3
TTD ID: D00UCP

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]

------------------------------------------------------------------------------------

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.