Details of the Drug

General Information of Drug (ID: DMY7EAF)

Drug Name

NSC-637991

Synonyms

CCRIS 7538; NSC-637991; 5-((2-(Dimethylamino)ethyl)amino)-8-hydroxy-1-methyl-6H-imidazo(4,5,1-de)acridin-6-one; CHEMBL124373; 138154-38-8; AC1L4CDI; DTXSID50160507; ZINC5116458; BDBM50008352; NCI60_012640; LS-189185; 5-(2-(dimethylamino)ethylamino)-8-hydroxy-1-methyl-6H-imidazo[4,5,1-de]acridin-6-one

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)

336.4

Logarithm of the Partition Coefficient (xlogp)

3.2

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C19H20N4O2
IUPAC Name: 10-[2-(dimethylamino)ethylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
Canonical SMILES: CC1=NC2=C3N1C4=C(C=C(C=C4)O)C(=O)C3=C(C=C2)NCCN(C)C
InChI: InChI=1S/C19H20N4O2/c1-11-21-15-6-5-14(20-8-9-22(2)3)17-18(15)23(11)16-7-4-12(24)10-13(16)19(17)25/h4-7,10,20,24H,8-9H2,1-3H3
InChIKey: RWGHRNQPAMSGPF-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 154479
CAS Number: 138154-38-8
TTD ID: D02NED

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.