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Compound Detail

CHEMBL420720

DOMOATE
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C=C(O)C1NCC(/C(C)=C/C=C/[C@@H](C)C(=C)O)C1C(=C)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL420720
Name DOMOATE
Phase Preclinical
Structure Type MOL
InChI Key LQWRAFCAHSCBDJ-RNPFBCAXSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

291.4
MW (Da)
3.54
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.45
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 C17H25NO3
MW 291.39
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 1.47

Activity Summary

Ki 1 meas. best 7.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, kainate 2
CHEMBL3683
 Ki 7.74 7.74 18.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, kainate 2 Ki = 18.3 nM 7.74 Inhibition of [3H]kainate binding at ionotropic glutamate receptor kainate 2 8809152

Literature References

PubMed DOI Target Context # Activities
21619066 10.1021/jm2004078 Unchecked 6
8809152 10.1021/jm960155a Glutamate receptor ionotropic, kainate 2 1

Data from ChEMBL 36 via Core Engine