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Compound Detail

CHEMBL504883

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Cn1nc(Br)c2cccc([N+](=O)[O-])c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL504883
Phase Preclinical
Structure Type MOL
InChI Key HQCVNVOZRXFKNJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

256.1
MW (Da)
2.24
ALogP
4
HBA
0
HBD
61.0
PSA (Ų)
0.58
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 C8H6BrN3O2
MW 256.06
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -1.57

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
19679481 10.1016/j.bmc.2009.07.067 Nitric oxide synthase 1 1
19679481 10.1016/j.bmc.2009.07.067 Nitric oxide synthase, inducible 1

Data from ChEMBL 36 via Core Engine