Details of the Drug

General Information of Drug (ID: DMTM1VD)

Drug Name
4-Ethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneamine
Synonyms CHEMBL260277; 4-Ethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneamine; BDBM50237936; AKOS006359116; 4-Ethyl-1,2,5,6-tetrahydropyridine-2-imine
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) 124.18
Logarithm of the Partition Coefficient (xlogp) 0
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C7H12N2
IUPAC Name
4-ethyl-2,3-dihydropyridin-6-amine
Canonical SMILES
CCC1=CC(=NCC1)N
InChI
InChI=1S/C7H12N2/c1-2-6-3-4-9-7(8)5-6/h5H,2-4H2,1H3,(H2,8,9)
InChIKey
PZWTXXAVOPPTGW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10130105
TTD ID
D0Y8DZ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Nitric-oxide synthase endothelial (NOS3) TTCM4B3 NOS3_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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 endothelial (NOS3) DTT NOS3 3.68E-01 -0.11 -0.85
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Design and synthesis of orally bioavailable inhibitors of inducible nitric oxide synthase. Part 1: synthesis and biological evaluation of dihydropy... Bioorg Med Chem Lett. 2002 Sep 2;12(17):2291-4.