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Compound Detail

CHEMBL353121

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N[C@@H](C[C@H](CC1CCC(c2ccccc2)CC1)C(=O)O)C(=O)O

Basic Information

ChEMBL ID CHEMBL353121
Phase Preclinical
Structure Type MOL
InChI Key FEOBBBLHGDLZBI-UAOKOLBASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
2.85
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.72
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 C18H25NO4
MW 319.40
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.51

Activity Summary

IC50 1 meas. best 5.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.5 5.5 3200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 3200.0 nM 5.5 Inhibitory activity towards group 2 metabotropic glutamate receptor by displacem... 9871538

Literature References

PubMed DOI Target Context # Activities
9871538 10.1016/s0960-894x(98)00091-2 Unchecked 1

Data from ChEMBL 36 via Core Engine