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Compound Detail

CHEMBL241192

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O=C(CCc1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O

Basic Information

ChEMBL ID CHEMBL241192
Phase Preclinical
Structure Type MOL
InChI Key GMILNBIETOPRPK-MRXNPFEDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

362.3
MW (Da)
1.68
ALogP
7
HBA
5
HBD
144.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18O8
MW 362.33
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.86

Activity Summary

IC50 1 meas. best 4.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.82 4.82 15000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 15000.0 nM 4.82 Inhibition of p56lck SH2 domain by ELISA 17418581

Literature References

PubMed DOI Target Context # Activities
17418581 10.1016/j.bmc.2006.06.059 Unchecked 1
17418581 10.1016/j.bmc.2006.06.059 Jurkat 1
17418581 10.1016/j.bmc.2006.06.059 No relevant target 1
21388814 10.1016/j.bmc.2011.02.013 Mus musculus 1

Data from ChEMBL 36 via Core Engine