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]
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
PubChem CID
9815538
ChEBI ID
CHEMBL1800346
TTD ID
D0R5XK
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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 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) Jump to Detail Molecular Expression Atlas of This Drug

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.