Details of the Drug

General Information of Drug (ID: DMZ3ORT)

Drug Name
Quinazoline derivative 10
Synonyms PMID26936077-Compound-21
Indication
Disease Entry ICD 11 Status REF
Chronic obstructive pulmonary disease CA22 Patented [1]
Cirrhosis DB93 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) 468.3
Topological Polar Surface Area (xlogp) 4.5
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C22H15BrFN3O3
IUPAC Name
2-bromo-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]-5-methoxybenzamide
Canonical SMILES
COC1=CC(=C(C=C1)Br)C(=O)NN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H15BrFN3O3/c1-30-15-10-11-18(23)17(12-15)21(28)26-27-20(13-6-8-14(24)9-7-13)25-19-5-3-2-4-16(19)22(27)29/h2-12H,1H3,(H,26,28)
InChIKey
NCDCVFJWCCFMHL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6737869
TTD ID
D0CM5P

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.