Details of the Drug

General Information of Drug (ID: DMEVNZI)

Drug Name
AMG-7160
Synonyms
AMG-7160; CHEMBL1086588; 4-Bromo-N-[2,2,2-trichloro-1-(4-chloro-phenylsulfanyl)-ethyl]-benzamide; 4-bromo-N-{2,2,2-trichloro-1-[(4-chlorophenyl)sulfanyl]ethyl}benzamide; 4-bromo-n-(2,2,2-trichloro-1-((4-chlorophenyl)sulfanyl)ethyl)benzamide; BAS 00084574; AC1MJD0X; SCHEMBL19743234; MolPort-001-818-003; BDBM50318458; AKOS016369423; AKOS000619708; MCULE-2387805859; ST082345; AG-690/32533021; 4-bromo-N-(2,2,2-trichloro-1-(4-chlorophenylthio)ethyl)benzamide; 4-bromo-N-[2,2,2-trichloro-1-(4-chlorophenyl)sulfanylethyl]benzamide
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): 1 Molecular Weight (mw) 474
Logarithm of the Partition Coefficient (xlogp) 6.7
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C15H10BrCl4NOS
IUPAC Name
4-bromo-N-[2,2,2-trichloro-1-(4-chlorophenyl)sulfanylethyl]benzamide
Canonical SMILES
C1=CC(=CC=C1C(=O)NC(C(Cl)(Cl)Cl)SC2=CC=C(C=C2)Cl)Br
InChI
InChI=1S/C15H10BrCl4NOS/c16-10-3-1-9(2-4-10)13(22)21-14(15(18,19)20)23-12-7-5-11(17)6-8-12/h1-8,14H,(H,21,22)
InChIKey
APLQHKFABMHWHP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3089985
TTD ID
D06OLJ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Transformation-sensitive protein p120 (TRPA1) TTELV3W TRPA1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Transient receptor potential ankyrin 1 (TRPA1) channel as emerging target for novel analgesics and anti-inflammatory agents. J Med Chem. 2010 Jul 22;53(14):5085-107.