Details of the Drug

General Information of Drug (ID: DMDRE64)

Drug Name

N-benzyl-9-oxo-9,10-dihydroacridine-3-carboxamide

Synonyms

Acridone-Based Inhibitor, 8c; N-benzyl-9-oxo-9,10-dihydroacridine-3-carboxamide; CHEMBL230199

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)

328.4

Logarithm of the Partition Coefficient (xlogp)

3.7

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C21H16N2O2
IUPAC Name: N-benzyl-9-oxo-10H-acridine-3-carboxamide
Canonical SMILES: C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4N3
InChI: InChI=1S/C21H16N2O2/c24-20-16-8-4-5-9-18(16)23-19-12-15(10-11-17(19)20)21(25)22-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,22,25)(H,23,24)
InChIKey: YUICSGTVFUPFFC-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Inosine-5'-monophosphate dehydrogenase 2 (IMPDH2)	TTTB4UP	IMDH2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Acridone-based inhibitors of inosine 5'-monophosphate dehydrogenase: discovery and SAR leading to the identification of N-(2-(6-(4-ethylpiperazin-1... J Med Chem. 2007 Jul 26;50(15):3730-42.