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Compound Detail

CHEMBL473471

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O=C(O)c1cccc2cn[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL473471
Phase Preclinical
Structure Type MOL
InChI Key WBCWIQCXHSXMDH-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

162.2
MW (Da)
1.26
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H6N2O2
MW 162.15
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness -1.37

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
18502134 10.1016/j.bmc.2008.04.056 Nitric oxide synthase 1 2
18502134 10.1016/j.bmc.2008.04.056 Nitric oxide synthase, inducible 2
18502134 10.1016/j.bmc.2008.04.056 Nitric oxide synthase 3 2

Data from ChEMBL 36 via Core Engine