Details of the Drug

General Information of Drug (ID: DMNMXCE)

Drug Name
4-Methyl-piperidin-(2E)-ylideneamine
Synonyms
CHEMBL6808; 2-imino-4-methylpiperidine; 2-PYRIDINAMINE, 3,4,5,6-TETRAHYDRO-4-METHYL-; 165383-71-1; 4-Methyl-piperidin-(2E)-ylideneamine; AC1MMWW1; 4-methylpiperidin-2-imine; 4-methyl-3,4,5,6-tetrahydropyridin-2-amine; 4-Methyl-2-piperidinimine; SCHEMBL4103569; CTK0A9019; DTXSID00390857; BDBM50062133; 4-Methyl-piperidin-(2Z)-ylideneamine; AKOS006348873; FT-0722141; 4-methyl-2,3,4,5-tetrahydropyridin-6-amine
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) 112.17
Logarithm of the Partition Coefficient (xlogp) -0.1
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C6H12N2
IUPAC Name
4-methyl-2,3,4,5-tetrahydropyridin-6-amine
Canonical SMILES
CC1CCN=C(C1)N
InChI
InChI=1S/C6H12N2/c1-5-2-3-8-6(7)4-5/h5H,2-4H2,1H3,(H2,7,8)
InChIKey
GGDLOMFAKKVDPT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3268009
ChEBI ID
CHEMBL6808
CAS Number
165383-71-1
TTD ID
D0D7PK
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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 endothelial (NOS3) TTCM4B3 NOS3_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
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References

1 Bicyclic amidine inhibitors of nitric oxide synthase: discovery of perhydro-iminopyrindine and perhydro-iminoquinoline as potent, orally active inh... Bioorg Med Chem Lett. 2005 Apr 15;15(8):1997-2001.