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Compound Detail

CHEMBL1945755

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CC(C)c1nccn1CC(=O)c1ccc(Br)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1945755
Phase Preclinical
Structure Type MOL
InChI Key NSYHSFQBHKKPJC-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

307.2
MW (Da)
3.65
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15BrN2O
MW 307.19
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.41

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
22280820 10.1016/j.ejmech.2012.01.002 Nitric oxide synthase, inducible 1
22280820 10.1016/j.ejmech.2012.01.002 Nitric oxide synthase 3 1
22280820 10.1016/j.ejmech.2012.01.002 Nitric oxide synthase 1 1

Data from ChEMBL 36 via Core Engine