Details of the Drug

General Information of Drug (ID: DMTQSNK)

Drug Name
Azonan-(2Z)-ylideneamine
Synonyms Azonan-(2Z)-ylideneamine; CHEMBL158641; SCHEMBL8466372; SCHEMBL2661739; BDBM50049256; AKOS006356817
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) 140.23
Logarithm of the Partition Coefficient (xlogp) 0.9
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C8H16N2
IUPAC Name
3,4,5,6,7,8-hexahydro-2H-azonin-9-amine
Canonical SMILES
C1CCCC(=NCCC1)N
InChI
InChI=1S/C8H16N2/c9-8-6-4-2-1-3-5-7-10-8/h1-7H2,(H2,9,10)
InChIKey
NHHGJWDDKUEZBV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10606829
ChEBI ID
CHEMBL158641
TTD ID
D02MFQ
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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 brain (NOS1) TTZUFI5 NOS1_HUMAN Inhibitor [1]
Nitric-oxide synthase inducible (NOS2) TTF10I9 NOS2_HUMAN Inhibitor [1]
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Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
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 2-Iminopiperidine and other 2-iminoazaheterocycles as potent inhibitors of human nitric oxide synthase isoforms. J Med Chem. 1996 Feb 2;39(3):669-72.