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Compound Detail

CHEMBL266430

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Cc1cc(O)nc2cc(N)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL266430
Phase Preclinical
Structure Type MOL
InChI Key MJXYFLJHTUSJGU-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

174.2
MW (Da)
1.83
ALogP
3
HBA
2
HBD
59.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H10N2O
MW 174.20
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -0.79

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
10843202 10.1016/s0960-894x(00)00126-8 H9 2
10843202 10.1016/s0960-894x(00)00126-8 ADMET 1
- 10.1007/s00044-009-9184-x No relevant target 1
- 10.1007/s00044-009-9184-x Bacillus subtilis 1
- 10.1007/s00044-009-9184-x Staphylococcus aureus 1
- 10.1007/s00044-009-9184-x Pseudomonas aeruginosa 1
- 10.1007/s00044-009-9184-x Escherichia coli 1
- 10.1007/s00044-013-0518-3 Escherichia coli 1
- 10.1007/s00044-013-0518-3 Staphylococcus aureus 1

Data from ChEMBL 36 via Core Engine