Details of the Drug | DrugMAP

General Information of Drug (ID: DMDRIZF)

Drug Name	Quinazolinone derivative 3
Synonyms	PMID26924192-Compound-86
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			424.5
	Logarithm of the Partition Coefficient (xlogp)			2.8
	Rotatable Bond Count (rotbonds)			6
	Hydrogen Bond Donor Count (hbonddonor)			2
	Hydrogen Bond Acceptor Count (hbondacc)			7
Chemical Identifiers	Formula C23H28N4O4 IUPAC Name 5,7-dimethoxy-2-[4-methoxy-2-[(1-methylpiperidin-4-yl)amino]phenyl]-3H-quinazolin-4-one Canonical SMILES CN1CCC(CC1)NC2=C(C=CC(=C2)OC)C3=NC4=C(C(=CC(=C4)OC)OC)C(=O)N3 InChI InChI=1S/C23H28N4O4/c1-27-9-7-14(8-10-27)24-18-11-15(29-2)5-6-17(18)22-25-19-12-16(30-3)13-20(31-4)21(19)23(28)26-22/h5-6,11-14,24H,7-10H2,1-4H3,(H,25,26,28) InChIKey FRAHQMXXLOFANF-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 137051728 TTD ID D09ENS

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bromodomain and extraterminal domain protein (BET)	TTE4BSY	NOUNIPROTAC	Inhibitor	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	BET inhibitors in cancer therapeutics: a patent review.Expert Opin Ther Pat. 2016;26(4):505-22.