Details of the Drug

General Information of Drug (ID: DMVKZU2)

Drug Name
Quinazoline derivative 12
Synonyms PMID26936077-Compound-23
Indication
Disease Entry ICD 11 Status REF
Chronic obstructive pulmonary disease CA22 Patented [1]
Cirrhosis DB93 Patented [1]
Gastrointestinal disease DE2Z Patented [1]
Multiple sclerosis 8A40 Patented [1]
Psoriasis vulgaris EA90 Patented [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 414.3
Topological Polar Surface Area (xlogp) 3.2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C19H16BrN3O3
IUPAC Name
2-bromo-N-(2-cyclopropyl-4-oxoquinazolin-3-yl)-5-methoxybenzamide
Canonical SMILES
COC1=CC(=C(C=C1)Br)C(=O)NN2C(=NC3=CC=CC=C3C2=O)C4CC4
InChI
InChI=1S/C19H16BrN3O3/c1-26-12-8-9-15(20)14(10-12)18(24)22-23-17(11-6-7-11)21-16-5-3-2-4-13(16)19(23)25/h2-5,8-11H,6-7H2,1H3,(H,22,24)
InChIKey
OWJRZOOAIAWSHE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
60163336
TTD ID
D0EC3H

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]
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.