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Compound Detail

CHEMBL241193

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O=C(CCc1ccc(O)c(O)c1)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL241193
Phase Preclinical
Structure Type MOL
InChI Key FMVRAMUNMQRPNQ-GFCCVEGCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
1.25
ALogP
6
HBA
6
HBD
147.3
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19NO7
MW 361.35
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.34

Activity Summary

IC50 1 meas. best 4.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.89 4.89 13000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 13000.0 nM 4.89 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

Data from ChEMBL 36 via Core Engine