Details of the Drug

General Information of Drug (ID: DMKA8YT)

Drug Name

NSC-637994

Synonyms

CCRIS 7540; 138154-43-5; 5-((3-Diethylamino)propyl)amino-8-hydroxy-6H-imidazo(4,5,1-de)acridin-6-one; CHEMBL123853; AC1L4CDL; SCHEMBL13526642; DTXSID80160510; ZINC5114744; NCI60_012643; LS-189188

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):
0

Molecular Weight

400.9

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

7

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

5

Chemical Identifiers

Formula: C21H25ClN4O2
IUPAC Name: 10-[3-(diethylamino)propylamino]-5-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride
Canonical SMILES: CCN(CC)CCCNC1=C2C3=C(C=C1)N=CN3C4=C(C2=O)C=C(C=C4)O.Cl
InChI: InChI=1S/C21H24N4O2.ClH/c1-3-24(4-2)11-5-10-22-16-7-8-17-20-19(16)21(27)15-12-14(26)6-9-18(15)25(20)13-23-17;/h6-9,12-13,22,26H,3-5,10-11H2,1-2H3;1H
InChIKey: JOPXSOWZGARKAE-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 367851
TTD ID: D0A0DN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Quinone reductase 2 (NQO2)	TTJLP0R	NQO2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Imidazoacridin-6-ones as novel inhibitors of the quinone oxidoreductase NQO2. Bioorg Med Chem Lett. 2010 May 1;20(9):2832-6.