Details of the Drug

General Information of Drug (ID: DM1J46S)

Drug Name

AMG-9090

Synonyms

AMG-9090; 118215-82-0; CHEMBL1086371; N-{2,2,2-trichloro-1-[(4-chlorophenyl)sulfanyl]ethyl}benzamide; N-(2,2,2-trichloro-1-((4-chlorophenyl)sulfanyl)ethyl)benzamide; AC1MLXZ1; SCHEMBL15159501; MolPort-002-804-203; BDBM50318455; AKOS001602233; MCULE-4762847116; NCGC00322013-01; BC600809; A-300; ST50981355; AB01317363-02; AF-962/31929042; N-(2,2,2-trichloro-1-(4-chlorophenylthio)ethyl)benzamide; N-[2,2,2-trichloro-1-(4-chlorophenyl)sulfanylethyl]benzamide; N-{2,2,2-trichloro-1-[(4-chlorophenyl)thio]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)

395.1

Logarithm of the Partition Coefficient (xlogp)

6

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C15H11Cl4NOS
IUPAC Name: N-[2,2,2-trichloro-1-(4-chlorophenyl)sulfanylethyl]benzamide
Canonical SMILES: C1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)SC2=CC=C(C=C2)Cl
InChI: InChI=1S/C15H11Cl4NOS/c16-11-6-8-12(9-7-11)22-14(15(17,18)19)20-13(21)10-4-2-1-3-5-10/h1-9,14H,(H,20,21)
InChIKey: NOXDIPWNQOTUAB-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3277297
TTD ID: D05CRM

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.