Details of the Drug

General Information of Drug (ID: DMEKMV0)

Drug Name

9-(Ethoxyimino)-9H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile

Synonyms

HY50737A; 924296-19-5; 9-(ethoxyimino)-9H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile; USP8-IN-22e; (9E)-9-ethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile; SCHEMBL1512635; 9-ethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile; 9-ethyloxyimino-9h-indeno[1,2-b]pyrazine-2,3-dicarbonitrile

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Preclinical	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

275.26

Logarithm of the Partition Coefficient (xlogp)

2.3

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C15H9N5O
IUPAC Name: 9-ethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
Canonical SMILES: CCON=C1C2=CC=CC=C2C3=NC(=C(N=C31)C#N)C#N
InChI: InChI=1S/C15H9N5O/c1-2-21-20-14-10-6-4-3-5-9(10)13-15(14)19-12(8-17)11(7-16)18-13/h3-6H,2H2,1H3
InChIKey: VKVAJBRQGBRHIK-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 73230796
TTD ID: D4X9MD

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Ubiquitin isopeptidase Y (USP8)	TT1J07C	UBP8_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Synthesis and biological evaluation of 9-oxo-9H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile analogues as potential inhibitors of deubiquitinating enzymes. ChemMedChem. 2010 Apr 6;5(4):552-8.