Details of the Drug

General Information of Drug (ID: DM1CYWB)

Drug Name
quin-C7
Synonyms Quin-C7; GTPL1039; SCHEMBL19384438
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 431.5
Logarithm of the Partition Coefficient (xlogp) 4.8
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C25H25N3O4
IUPAC Name
4-butoxy-N-[2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide
Canonical SMILES
CCCCOC1=CC=C(C=C1)C(=O)NN2C(NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)O
InChI
InChI=1S/C25H25N3O4/c1-2-3-16-32-20-14-10-18(11-15-20)24(30)27-28-23(17-8-12-19(29)13-9-17)26-22-7-5-4-6-21(22)25(28)31/h4-15,23,26,29H,2-3,16H2,1H3,(H,27,30)
InChIKey
URGRPHVKOQXJLZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11647668
TTD ID
D04NBD

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
FMLP-related receptor I (FPR2) TTOJ1NF FPR2_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1039).
2 Pharmacological characterization of a novel nonpeptide antagonist for formyl peptide receptor-like 1. Mol Pharmacol. 2007 Oct;72(4):976-83.