Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL122507

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C=C(c1ccc(OCCCC)cc1)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O

Basic Information

ChEMBL ID CHEMBL122507
Phase Preclinical
Structure Type MOL
InChI Key KXBXJQAOMRSKAY-JZXOWHBKSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
2.64
ALogP
4
HBA
3
HBD
95.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H25NO5
MW 347.41
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 0.61

Activity Summary

Ki 2 meas. best 8.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, kainate 2
CHEMBL3607
Ki 8.55 8.55 2.8 1
Glutamate receptor ionotropic, kainate 2
CHEMBL3683
Ki 6.83 6.83 146.6 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8809152 10.1021/jm960155a Glutamate receptor ionotropic, kainate 2 5

Data from ChEMBL 36 via Core Engine