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Compound Detail

CHEMBL121510

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C=C(c1cccc(-c2ccccc2)c1)[C@@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL121510
Phase Preclinical
Structure Type MOL
InChI Key IMXVNEJUSJQSBB-BJLQDIEVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
3.13
ALogP
3
HBA
3
HBD
86.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21NO4
MW 351.40
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.58

Activity Summary

Ki 1 meas. best 5.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, kainate 2
CHEMBL3683
 Ki 5.51 5.51 3109.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, kainate 2 Ki = 3109.2 nM 5.51 Inhibition of [3H]kainate binding at ionotropic glutamate receptor kainate 2 8809152

Literature References

PubMed DOI Target Context # Activities
8809152 10.1021/jm960155a Glutamate receptor ionotropic, kainate 2 4

Data from ChEMBL 36 via Core Engine