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Compound Detail

CHEMBL1649776

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COc1ccc(-c2cnc(N)[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1649776
Phase Preclinical
Structure Type MOL
InChI Key LLAWLJKKTBJSEI-UHFFFAOYSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

189.2
MW (Da)
1.67
ALogP
3
HBA
2
HBD
63.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H11N3O
MW 189.22
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.34

Activity Summary

IC50 4 meas.

Literature References

PubMed DOI Target Context # Activities
21550812 10.1016/j.bmc.2011.04.026 Pseudomonas aeruginosa 8
21550812 10.1016/j.bmc.2011.04.026 Salmonella typhimurium 7
21174477 10.1021/jm1011148 Salmonella typhimurium 2
21174477 10.1021/jm1011148 Pseudomonas aeruginosa 2

Data from ChEMBL 36 via Core Engine