Details of the Drug

General Information of Drug (ID: DMWELVK)

Drug Name

4-(cyclohexylamino)-N-(quinolin-3-yl)benzamide

Synonyms

CHEMBL406573; SCHEMBL846014

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): 1

Molecular Weight (mw)

345.4

Logarithm of the Partition Coefficient (xlogp)

5.4

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C22H23N3O
IUPAC Name: 4-(cyclohexylamino)-N-quinolin-3-ylbenzamide
Canonical SMILES: C1CCC(CC1)NC2=CC=C(C=C2)C(=O)NC3=CC4=CC=CC=C4N=C3
InChI: InChI=1S/C22H23N3O/c26-22(25-20-14-17-6-4-5-9-21(17)23-15-20)16-10-12-19(13-11-16)24-18-7-2-1-3-8-18/h4-6,9-15,18,24H,1-3,7-8H2,(H,25,26)
InChIKey: SWEAAERORIFOIX-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Transient receptor potential cation channel V1 (TRPV1)	TTMI6F5	TRPV1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	N-pyridin-3-yl- and N-quinolin-3-yl-benzamides: modulators of human vanilloid receptor 1 (TRPV1). Bioorg Med Chem Lett. 2008 Apr 15;18(8):2730-4.