Details of the Drug

General Information of Drug (ID: DMK9FQG)

Drug Name

N-(4-iodophenyl)-4-(trifluoromethyl)benzamide

Synonyms

N-(4-iodophenyl)-4-(trifluoromethyl)benzamide; CHEMBL401308; AC1LKJKC; SCHEMBL7557294; MolPort-002-827-048; ZINC682493; BDBM50231097; AKOS008920216; MCULE-1341396811

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)

391.13

Logarithm of the Partition Coefficient (xlogp)

4.2

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C14H9F3INO
IUPAC Name: N-(4-iodophenyl)-4-(trifluoromethyl)benzamide
Canonical SMILES: C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)I)C(F)(F)F
InChI: InChI=1S/C14H9F3INO/c15-14(16,17)10-3-1-9(2-4-10)13(20)19-12-7-5-11(18)6-8-12/h1-8H,(H,19,20)
InChIKey: VTVLWVLMDYRPGZ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 1019468
TTD ID: D0F4NA

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)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Synthesis of benzamide derivatives as TRPV1 antagonists. Bioorg Med Chem Lett. 2008 Feb 1;18(3):1072-8.