Details of the Drug

General Information of Drug (ID: DMRD83Q)

Drug Name
AMG-2504
Synonyms
AMG-2504; CHEMBL1086587; 4-nitro-N-{2,2,2-trichloro-1-[(4-chlorophenyl)sulfanyl]ethyl}benzamide; 4-nitro-n-(2,2,2-trichloro-1-((4-chlorophenyl)sulfanyl)ethyl)benzamide; AC1MD3F6; SCHEMBL19743227; MolPort-002-133-093; STK822395; BDBM50318457; AKOS016332516; AKOS003622338; MCULE-9954660789; AE-848/32004034; 4-nitro-N-(2,2,2-trichloro-1-(4-chlorophenylthio)ethyl)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) 440.1
Logarithm of the Partition Coefficient (xlogp) 5.9
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C15H10Cl4N2O3S
IUPAC Name
4-nitro-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)[N+](=O)[O-]
InChI
InChI=1S/C15H10Cl4N2O3S/c16-10-3-7-12(8-4-10)25-14(15(17,18)19)20-13(22)9-1-5-11(6-2-9)21(23)24/h1-8,14H,(H,20,22)
InChIKey
DNTIPHKVCXUYRM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2830271
ChEBI ID
CHEMBL1086587
TTD ID
D03LVI
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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.