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]
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
ChEBI ID
CHEMBL401308
TTD ID
D0F4NA
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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]
Molecular Interaction Atlas (MIA) 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.