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Compound Detail

CHEMBL185600

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N=C1CCC2CCCCN12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL185600
Phase Preclinical
Structure Type MOL
InChI Key VNJHIPCVZNOPEN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

138.2
MW (Da)
1.61
ALogP
1
HBA
1
HBD
27.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H14N2
MW 138.21
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness -0.34

Literature References

PubMed DOI Target Context # Activities
15357988 10.1016/j.bmcl.2004.06.033 Nitric oxide synthase (inducible and endothelial) 1
15357988 10.1016/j.bmcl.2004.06.033 Nitric oxide synthase 1 1
15357988 10.1016/j.bmcl.2004.06.033 Nitric oxide sythases; iNOS & nNOS 1
15357988 10.1016/j.bmcl.2004.06.033 Nitric oxide synthase, inducible 1
15357988 10.1016/j.bmcl.2004.06.033 Nitric oxide synthase 3 1

Data from ChEMBL 36 via Core Engine