Details of the Drug

General Information of Drug (ID: DMUPT9A)

Drug Name

Amidine compound 1

Synonyms

PMID26936077-Compound-28

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)

343.4

Topological Polar Surface Area (xlogp)

3.6

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C22H21N3O
IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-methyl-3-phenylbenzamide
Canonical SMILES: CC1=C(C=CC=C1C(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CC=CC=C3
InChI: InChI=1S/C22H21N3O/c1-15-19(17-6-3-2-4-7-17)8-5-9-20(15)22(26)25-14-16-10-12-18(13-11-16)21(23)24/h2-13H,14H2,1H3,(H3,23,24)(H,25,26)
InChIKey: RNDNSLVKMYCGOO-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.