Details of the Drug

General Information of Drug (ID: DM8LOCA)

Drug Name
NSC-660839
Synonyms
NSC-660839; NSC660839; CHEMBL8150; 5-((2-(Diethylamino)ethyl)amino)-7,10-dimethoxy-6H-imidazo[4,5,1-de]acridin-6-one; 5-[[2-(Diethylamino)ethyl]amino]-7,10-dimethoxy-6H-imidazo[4,5,1-de]acridin-6-one; AC1Q6JKA; AC1L8DKE; CTK6E8373; ZINC5499387; BDBM50317138; NCI60_021219; (2-diethylaminoethylamino)-dimethoxy-[ ]one; 5-(2-Diethylamino-ethylamino)-7,10-dimethoxy-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) 394.5
Logarithm of the Partition Coefficient (xlogp) 3.9
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C22H26N4O3
IUPAC Name
10-[2-(diethylamino)ethylamino]-3,6-dimethoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one
Canonical SMILES
CCN(CC)CCNC1=C2C3=C(C=C1)N=CN3C4=C(C=CC(=C4C2=O)OC)OC
InChI
InChI=1S/C22H26N4O3/c1-5-25(6-2)12-11-23-14-7-8-15-20-18(14)22(27)19-16(28-3)9-10-17(29-4)21(19)26(20)13-24-15/h7-10,13,23H,5-6,11-12H2,1-4H3
InChIKey
GVUCPNKYHGBWCF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
378420
ChEBI ID
CHEMBL8150
TTD ID
D08NCP
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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.