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Compound Detail

CHEMBL243587

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O=Cc1ccc(O)cc1O

Basic Information

ChEMBL ID CHEMBL243587
Phase Preclinical
Structure Type MOL
InChI Key IUNJCFABHJZSKB-UHFFFAOYSA-N
0
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

138.1
MW (Da)
0.91
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.57
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 C7H6O3
MW 138.12
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness 1.18

Activity Summary

IC50 5 meas.

Literature References

PubMed DOI Target Context # Activities
26986086 10.1016/j.ejmech.2016.03.008 Unchecked 19
17258462 10.1016/j.bmc.2006.12.038 Unchecked 2
926120 10.1021/jm00219a017 Unchecked 2
19850474 10.1016/j.bmcl.2009.09.086 Fatty-acid amide hydrolase 1 1
24630560 10.1016/j.bmcl.2014.02.039 Aromatase 1
26754613 10.1016/j.bmcl.2015.12.092 Tyrosinase 1
26986086 10.1016/j.ejmech.2016.03.008 No relevant target 1

Data from ChEMBL 36 via Core Engine