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Compound Detail

CHEMBL499583

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c1cc(-c2nnn[nH]2)c2[nH]ncc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL499583
Phase Preclinical
Structure Type MOL
InChI Key ALKJXNLKWJSZDV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

186.2
MW (Da)
0.74
ALogP
4
HBA
2
HBD
83.1
PSA (Ų)
0.59
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 C8H6N6
MW 186.18
Aromatic Rings 3
Heavy Atoms 14
NP-Likeness -2.24

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