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Compound Detail

CHEMBL516740

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c1cc(-c2cnn[nH]2)c2[nH]ncc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL516740
Phase Preclinical
Structure Type MOL
InChI Key OPACUJIQQAVLSY-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

185.2
MW (Da)
1.35
ALogP
3
HBA
2
HBD
70.2
PSA (Ų)
0.60
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 C9H7N5
MW 185.19
Aromatic Rings 3
Heavy Atoms 14
NP-Likeness -1.47

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
18502134 10.1016/j.bmc.2008.04.056 RAW264.7 1

Data from ChEMBL 36 via Core Engine