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Compound Detail

CHEMBL3187012

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CC(=O)c1ccccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3187012
Phase Preclinical
Structure Type MOL
InChI Key JECYUBVRTQDVAT-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

136.2
MW (Da)
1.59
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C8H8O2
MW 136.15
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness 0.21

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
926120 10.1021/jm00219a017 Unchecked 2
31335138 10.1021/acs.jmedchem.9b00510 No relevant target 2
36966660 10.1016/j.bmc.2023.117255 Molecular identity unknown 2
25278230 10.1016/j.bmcl.2014.09.028 No relevant target 1
26754613 10.1016/j.bmcl.2015.12.092 Tyrosinase 1

Data from ChEMBL 36 via Core Engine