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]
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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
TTD ID: D03LVI

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.