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Compound Detail

CHEMBL292690

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Nc1ccc2c(n1)CCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL292690
Phase Preclinical
Structure Type MOL
InChI Key HNOVETPPRHXNDM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

134.2
MW (Da)
1.15
ALogP
2
HBA
1
HBD
38.9
PSA (Ų)
0.58
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 C8H10N2
MW 134.18
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness -0.37

Literature References

PubMed DOI Target Context # Activities
10987430 10.1016/s0960-894x(00)00389-9 Nitric oxide synthase, inducible 1
10987430 10.1016/s0960-894x(00)00389-9 Nitric oxide synthase 3 1
10987430 10.1016/s0960-894x(00)00389-9 Nitric oxide synthase 1 1
10987430 10.1016/s0960-894x(00)00389-9 Nitric oxide synthase (inducible and endothelial) 1
10987430 10.1016/s0960-894x(00)00389-9 Nitric oxide sythases; iNOS & nNOS 1

Data from ChEMBL 36 via Core Engine