Details of the Drug

General Information of Drug (ID: DMYIWAH)

Drug Name
4-Ethyl-pyrrolidin-(2Z)-ylideneamine
Synonyms CHEMBL360616; CHEMBL543886; 4-Ethylpyrrolidine-2-imine; SCHEMBL7593608; BDBM50066783; AKOS006353400; 4-Ethyl-pyrrolidin-(2E)-ylideneamine
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) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C6H12N2
IUPAC Name
3-ethyl-3,4-dihydro-2H-pyrrol-5-amine
Canonical SMILES
CCC1CC(=NC1)N
InChI
InChI=1S/C6H12N2/c1-2-5-3-6(7)8-4-5/h5H,2-4H2,1H3,(H2,7,8)
InChIKey
YDJLYZDTIUKJQI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10725313
ChEBI ID
CHEMBL360616
TTD ID
D02EOF
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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 Evaluation of pyrrolidin-2-imines and 1,3-thiazolidin-2-imines as inhibitors of nitric oxide synthase. Bioorg Med Chem Lett. 2004 Sep 6;14(17):4539-44.