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Compound Detail

CHEMBL463676

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Nc1cccc2cn[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL463676
Phase Preclinical
Structure Type MOL
InChI Key OTFFCAGPSWJBDK-UHFFFAOYSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

133.2
MW (Da)
1.15
ALogP
2
HBA
2
HBD
54.7
PSA (Ų)
0.53
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 C7H7N3
MW 133.15
Aromatic Rings 2
Heavy Atoms 10
NP-Likeness -1.44

Activity Summary

IC50 4 meas.

Literature References

PubMed DOI Target Context # Activities
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
19679481 10.1016/j.bmc.2009.07.067 Nitric oxide synthase 1 1

Data from ChEMBL 36 via Core Engine