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Compound Detail

CHEMBL6657

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CCCC1CCN=C(N)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6657
Phase Preclinical
Structure Type MOL
InChI Key MEFVVPMWEUFYGI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

140.2
MW (Da)
1.55
ALogP
2
HBA
1
HBD
38.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H16N2
MW 140.23
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness 0.55

Literature References

PubMed DOI Target Context # Activities
9438025 10.1021/jm9705059 Nitric oxide synthase, inducible 1
9438025 10.1021/jm9705059 Nitric oxide synthase 1 1
9438025 10.1021/jm9705059 Nitric oxide synthase 3 1

Data from ChEMBL 36 via Core Engine