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Compound Detail

CHEMBL242110

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Cc1ccc2c(C(=O)O)cccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL242110
Phase Preclinical
Structure Type MOL
InChI Key VKJCKNYCWUGWEW-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

187.2
MW (Da)
2.24
ALogP
2
HBA
1
HBD
50.2
PSA (Ų)
0.74
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 C11H9NO2
MW 187.20
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.86

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17142046 10.1016/j.bmc.2006.11.020 No relevant target 1
17142046 10.1016/j.bmc.2006.11.020 Unchecked 1
17142046 10.1016/j.bmc.2006.11.020 SK-N-MC 1
17142046 10.1016/j.bmc.2006.11.020 Chlorella vulgaris 1

Data from ChEMBL 36 via Core Engine