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Compound Detail

CHEMBL1945751

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Cc1nccn1CC(=O)c1ccc(Br)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1945751
Phase Preclinical
Structure Type MOL
InChI Key HIRBXIFVUXDAPG-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

279.1
MW (Da)
2.84
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11BrN2O
MW 279.14
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.65

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-012-0251-3 Candida albicans 2
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