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Compound Detail

CHEMBL1086681

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C[C@@H](O)CCc1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1086681
Phase Preclinical
Structure Type MOL
InChI Key SFUCGABQOMYVJW-MRVPVSSYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

166.2
MW (Da)
1.71
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H14O2
MW 166.22
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 1.02

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
20363129 10.1016/j.bmcl.2010.03.053 RBL-2H3 2
35717871 10.1016/j.ejmech.2022.114525 Tyrosinase 1

Data from ChEMBL 36 via Core Engine