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Compound Detail

CHEMBL452956

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C#Cc1cccc2cn[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL452956
Phase Preclinical
Structure Type MOL
InChI Key RZRGQMHAEDLRBS-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

142.2
MW (Da)
1.54
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.56
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 C9H6N2
MW 142.16
Aromatic Rings 2
Heavy Atoms 11
NP-Likeness -1.93

Activity Summary

IC50 2 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 1

Data from ChEMBL 36 via Core Engine