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Compound Detail

CHEMBL5592585

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C=C(CC/C=C(\C)C(=O)O)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O

Basic Information

ChEMBL ID CHEMBL5592585
Phase Preclinical
Structure Type MOL
InChI Key OKFIHTSZDXUGQB-PGPNUJALSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

311.3
MW (Da)
1.12
ALogP
4
HBA
4
HBD
123.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H21NO6
MW 311.33
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 2.39

Activity Summary

EC50 1 meas. best 5.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hippocampus
CHEMBL613631
EC50 5.43 5.43 3712.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hippocampus EC50 = 3712.0 nM 5.43 Reduction in CA1 spike amplitude in Wistar rat hippocampal slices after 20 mins ... 39133077

Literature References

PubMed DOI Target Context # Activities
39133077 10.1021/acs.jmedchem.4c01311 Hippocampus 1

Data from ChEMBL 36 via Core Engine