Details of the Drug

General Information of Drug (ID: DM2HC8L)

Drug Name

NSC-637993

Synonyms

NSC637993; AC1L7VTM; AC1Q3ESJ; SCHEMBL20526868; CTK6E8376; CCG-35774; 6H-Imidazo[4,1-de]acridin-6-one, 5-[2-(diethylamino) ethylamino]-8-methoxy-1-methyl-, dihydrochloride; 5-{[2-(diethylamino)ethyl]amino}-8-methoxy-1-methyl-6h-imidazo[4,5,1-de]acridin-6-one hydrochloride(1:1); 6H-Imidazo[4,5,1-de]acridin-6-one, 5-[2-(diethylamino) ethylamino]-8-methoxy-1-methyl-, dihydrochloride

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)

378.5

Logarithm of the Partition Coefficient (xlogp)

4.3

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C22H26N4O2
IUPAC Name: 10-[2-(diethylamino)ethylamino]-5-methoxy-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: CCN(CC)CCNC1=C2C3=C(C=C1)N=C(N3C4=C(C2=O)C=C(C=C4)OC)C
InChI: InChI=1S/C22H26N4O2/c1-5-25(6-2)12-11-23-17-8-9-18-21-20(17)22(27)16-13-15(28-4)7-10-19(16)26(21)14(3)24-18/h7-10,13,23H,5-6,11-12H2,1-4H3
InChIKey: URGOPTXSJQVCSA-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 367850
TTD ID: D0Q8JE

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.