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Compound Detail

CHEMBL516741

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NC(=O)c1cccc2c(Br)n[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL516741
Phase Preclinical
Structure Type MOL
InChI Key MAXHWVGYGVICIC-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

240.1
MW (Da)
1.42
ALogP
2
HBA
2
HBD
71.8
PSA (Ų)
0.79
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 C8H6BrN3O
MW 240.06
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -1.00

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