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Compound Detail

CHEMBL278175

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Oc1cccc2cn[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL278175
Phase Preclinical
Structure Type MOL
InChI Key VEDLFQPHHBOHIR-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

134.1
MW (Da)
1.27
ALogP
2
HBA
2
HBD
48.9
PSA (Ų)
0.57
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 C7H6N2O
MW 134.14
Aromatic Rings 2
Heavy Atoms 10
NP-Likeness -0.96

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
11354365 10.1016/s0960-894x(01)00156-1 Nitric oxide synthase 1 2
18502134 10.1016/j.bmc.2008.04.056 Nitric oxide synthase 1 1
18502134 10.1016/j.bmc.2008.04.056 Nitric oxide synthase, inducible 1
18502134 10.1016/j.bmc.2008.04.056 Nitric oxide synthase 3 1

Data from ChEMBL 36 via Core Engine