Details of the Drug

General Information of Drug (ID: DMXDNQ6)

Drug Name
NSC-660838
Synonyms
NSC-660838; NSC660838; CHEMBL8238; 5-((2-(Diethylamino)ethyl)amino)-10-methoxy-6H-imidazo[4,5,1-de]acridin-6-one; 5-[[2-(Diethylamino)ethyl]amino]-10-methoxy-6H-imidazo[4,5,1-de]acridin-6-one; AC1L8DKD; AC1Q6J73; CTK6E8377; BDBM50317137; NCI60_021218; (2-diethylaminoethylamino)-methoxy-[ ]one; 5-(2-Diethylamino-ethylamino)-10-methoxy-2,10b-diaza-aceanthrylen-6-one
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 364.4
Logarithm of the Partition Coefficient (xlogp) 3.9
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C21H24N4O2
IUPAC Name
10-[2-(diethylamino)ethylamino]-3-methoxy-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
CCN(CC)CCNC1=C2C3=C(C=C1)N=CN3C4=C(C2=O)C=CC=C4OC
InChI
InChI=1S/C21H24N4O2/c1-4-24(5-2)12-11-22-15-9-10-16-20-18(15)21(26)14-7-6-8-17(27-3)19(14)25(20)13-23-16/h6-10,13,22H,4-5,11-12H2,1-3H3
InChIKey
UOASRCCYMFZXGC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
378419
ChEBI ID
CHEMBL8238
TTD ID
D03SBI
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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]
Molecular Interaction Atlas (MIA) 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.