Details of the Drug

General Information of Drug (ID: DMVQYWS)

Drug Name

quin-C1

Synonyms

quin-C1; Quin C1; GTPL6265; SCHEMBL19384377; MolPort-039-338-065; 4-butoxy-N-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide; AKOS027470217; 4-butoxy-N-(2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3(4H)-yl)benzamide; 786706-21-6; 4-butoxy-N-[2-(4-methoxyphenyl)-4-oxo-1,4-dihydro-2h-quinazolin-3-yl]benzamide

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

445.5

Logarithm of the Partition Coefficient (xlogp)

5.1

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C26H27N3O4
IUPAC Name: 4-butoxy-N-[2-(4-methoxyphenyl)-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)OC
InChI: InChI=1S/C26H27N3O4/c1-3-4-17-33-21-15-11-19(12-16-21)25(30)28-29-24(18-9-13-20(32-2)14-10-18)27-23-8-6-5-7-22(23)26(29)31/h5-16,24,27H,3-4,17H2,1-2H3,(H,28,30)
InChIKey: XORVAHQXRDLSFT-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11751175
TTD ID: D0C3HQ

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	Agonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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: 6265).
2	A novel nonpeptide ligand for formyl peptide receptor-like 1. Mol Pharmacol. 2004 Nov;66(5):1213-22.