Details of the Drug

General Information of Drug (ID: DMNEVXT)

Drug Name

AMG-5445

Synonyms

AMG-5445; CHEMBL1086586; 4-Methoxy-N-[2,2,2-trichloro-1-(4-chloro-phenylsulfanyl)-ethyl]-benzamide; BAS 00092441; AC1MD3F3; CBDivE_009656; SCHEMBL15159500; MolPort-001-914-251; BDBM50318456; AKOS016361849; AKOS000521797; MCULE-5981280288; ST50216415; 4-methoxy-N-(2,2,2-trichloro-1-(4-chlorophenylthio)ethyl)benzamide; 4-methoxy-N-[2,2,2-trichloro-1-(4-chlorophenyl)sulfanylethyl]benzamide; 4-methoxy-n-(2,2,2-trichloro-1-((4-chlorophenyl)sulfanyl)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)

425.2

Logarithm of the Partition Coefficient (xlogp)

6

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H13Cl4NO2S
IUPAC Name: 4-methoxy-N-[2,2,2-trichloro-1-(4-chlorophenyl)sulfanylethyl]benzamide
Canonical SMILES: COC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)SC2=CC=C(C=C2)Cl
InChI: InChI=1S/C16H13Cl4NO2S/c1-23-12-6-2-10(3-7-12)14(22)21-15(16(18,19)20)24-13-8-4-11(17)5-9-13/h2-9,15H,1H3,(H,21,22)
InChIKey: MRIRDTYIRGDISF-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 2830270
TTD ID: D0O3FC

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.