Details of the Drug

General Information of Drug (ID: DM2UWSX)

Drug Name

Amidine compound 2

Synonyms

PMID26936077-Compound-29

Indication

Disease Entry	ICD 11	Status	REF
Inflammation	1A00-CA43.1	Patented	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

363.8

Topological Polar Surface Area (xlogp)

3.9

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C21H18ClN3O
IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-chloro-3-phenylbenzamide
Canonical SMILES: C1=CC=C(C=C1)C2=C(C(=CC=C2)C(=O)NCC3=CC=C(C=C3)C(=N)N)Cl
InChI: InChI=1S/C21H18ClN3O/c22-19-17(15-5-2-1-3-6-15)7-4-8-18(19)21(26)25-13-14-9-11-16(12-10-14)20(23)24/h1-12H,13H2,(H3,23,24)(H,25,26)
InChIKey: HZBJZCWAIZICKW-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Proteinase activated receptor 2 (PAR2)	TTQR74A	PAR2_HUMAN	Antagonist	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Protease activated receptor 2 (PAR2) modulators: a patent review (2010-2015).Expert Opin Ther Pat. 2016;26(4):471-83.