Compound Detail
CHEMBL211749
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Basic Information
| ChEMBL ID | CHEMBL211749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGUXYTCVBMZYPA-NRFANRHFSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
420.6
MW (Da)
2.22
ALogP
5
HBA
5
HBD
116.5
PSA (Ų)
0.25
QED
0
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.89
IC50 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor 1 CHEMBL3753 | Ki | 7.89 | 7.0833 | 13.0 | 3 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 6.68 | 6.68 | 207.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor 1 | Ki | = | 13.0 | nM | 7.89 | Antagonist activity against rat GluR1 flop expressed in Xenopus laevis oocyte as... | 16942015 |
| Glutamate receptor 1 | Ki | = | 95.0 | nM | 7.02 | Antagonist activity against rat GluR1 flop expressed in Xenopus laevis oocyte as... | 16942015 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 207.0 | nM | 6.68 | Antagonist activity against rat brain AMPA receptor expressed in Xenopus laevis ... | 16942015 |
| Glutamate receptor 1 | Ki | = | 460.0 | nM | 6.34 | Antagonist activity against rat GluR1 flop expressed in Xenopus laevis oocyte as... | 16942015 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16942015 | 10.1021/jm060606j | Glutamate receptor 1 | 3 |
| 16942015 | 10.1021/jm060606j | Glutamate receptor ionotropic, AMPA | 1 |
Data from ChEMBL 36 via Core Engine