Details of the Drug

General Information of Drug (ID: DML7Q56)

Drug Name

ONO-1714

Synonyms

CHEMBL1800346; CHEMBL105792; SCHEMBL2717045; BDBM50386178

Indication

Disease Entry	ICD 11	Status	REF
Sepsis	1G40-1G41	Discontinued in Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

195.09

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

0

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

1

Chemical Identifiers

Formula: C7H12Cl2N2
IUPAC Name: (1S,5S,6R,7R)-7-chloro-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine;hydrochloride
Canonical SMILES: C[C@H]1CC(=N[C@H]2[C@@H]1[C@H]2Cl)N.Cl
InChI: InChI=1S/C7H11ClN2.ClH/c1-3-2-4(9)10-7-5(3)6(7)8;/h3,5-7H,2H2,1H3,(H2,9,10);1H/t3-,5-,6+,7-;/m0./s1
InChIKey: IZIZKGZAEABSET-IEUZAGAGSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nitric-oxide synthase inducible (NOS2)	TTF10I9	NOS2_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Sepsis

ICD Disease Classification

1G40-1G41

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Nitric-oxide synthase inducible (NOS2)	DTT	NOS2	4.24E-02	-0.27	-0.88

Molecular Expression Atlas (MEA)

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References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800013758)
2	ONO-1714, a new inducible nitric oxide synthase inhibitor, attenuates diaphragmatic dysfunction associated with cerulein-induced pancreatitis in rats. Crit Care Med. 2001 Jun;29(6):1215-21.