Details of the Drug

General Information of Drug (ID: DMNUQAG)

Drug Name

CGP-029482

Synonyms

CGP-029482; CHEMBL92361; (5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN-7-YL)-ACETIC ACID; (5-oxo-5,6-dihydroindolo[1,2-a]quinazolin-7-yl)acetic acid; IQA; 1om1; AC1L9L3Y; SCHEMBL263731; BDBM11319; MolPort-006-167-937; HMS3229D05; ZINC2047511; CGP029482; AKOS005266257; DB01765; {5-oxo-6H-indolo[1,2-a]quinazolin-7-yl}acetic acid; 2-(5-oxo-6H-indolo[1,2-a]quinazolin-7-yl)acetic acid; [5-oxo-5,6-dihydroindolo-(1,2-a)quinazolin-7-yl]acetic acid

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

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

292.29

Logarithm of the Partition Coefficient (xlogp)

2.4

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C17H12N2O3
IUPAC Name: 2-(5-oxo-6H-indolo[1,2-a]quinazolin-7-yl)acetic acid
Canonical SMILES: C1=CC=C2C(=C1)C(=C3N2C4=CC=CC=C4C(=O)N3)CC(=O)O
InChI: InChI=1S/C17H12N2O3/c20-15(21)9-12-10-5-1-3-7-13(10)19-14-8-4-2-6-11(14)17(22)18-16(12)19/h1-8H,9H2,(H,18,22)(H,20,21)
InChIKey: INSBKYCYLCEBOD-UHFFFAOYSA-N