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Compound Detail

CHEMBL4756304

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O=C(O)C[C@@H]1[C@@H](C(=O)O)NC[C@@H]1c1ccc(C(=O)O)[nH]c1=O

Basic Information

ChEMBL ID CHEMBL4756304
Phase Preclinical
Structure Type MOL
InChI Key CWXNEBSQRIECMV-PJKMHFRUSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

310.3
MW (Da)
-0.70
ALogP
5
HBA
5
HBD
156.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C13H14N2O7
MW 310.26
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.68

Activity Summary

IC50 2 meas. best 7.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor 4
CHEMBL3505
IC50 7.22 7.22 60.0 1
Unchecked
CHEMBL612545
IC50 6.48 6.48 330.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33120080 10.1016/j.bmc.2020.115820 ADMET 3
39133077 10.1021/acs.jmedchem.4c01311 Glutamate receptor 4 1
39133077 10.1021/acs.jmedchem.4c01311 Unchecked 1

Data from ChEMBL 36 via Core Engine