Compound Detail
CHEMBL284895
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Basic Information
| ChEMBL ID | CHEMBL284895 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRJCBFDCFXCWGO-UHFFFAOYSA-N |
6
Targets
8
Activities
3
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
158.1
MW (Da)
-0.54
ALogP
5
HBA
3
HBD
109.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.02
Ki 3 meas. best 4.77
IC50 2 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 5.02 | 5.02 | 9600.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL3227 | Ki | 4.77 | 4.77 | 17000.0 | 1 |
| Metabotropic glutamate receptor 1 CHEMBL3772 | Ki | 4.37 | 4.37 | 43000.0 | 1 |
| Metabotropic glutamate receptor 1 CHEMBL4477 | EC50 | 4.37 | 4.37 | 43000.0 | 1 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 4.12 | 4.12 | 76000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 9600.0 | nM | 5.02 | Evaluated for effective concentration in, in vitro electrophysiological model in... | 9873391 |
| Glutamate NMDA receptor | IC50 | = | 10000.0 | nM | 5.0 | Ability to displace [3H]CPP from NMDA receptor in rat brain membrane | 1533422 |
| Metabotropic glutamate receptor 5 | Ki | = | 17000.0 | nM | 4.77 | Agonist potency against cloned metabotropic glutamate receptor 5 | 10893301 |
| Metabotropic glutamate receptor 1 | EC50 | = | 43000.0 | nM | 4.37 | Compound was evaluated for agonistic activity against mGluR1 alpha metabotropic ... | 9873391 |
| Metabotropic glutamate receptor 1 | Ki | = | 43000.0 | nM | 4.37 | Agonist potency against cloned human metabotropic glutamate receptor 1 | 10893301 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 76000.0 | nM | 4.12 | Inhibitory activity against Ionotropic glutamate receptor AMPA using [3H]AMPA as... | 8568805 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 9873391 | 10.1016/s0960-894x(98)00264-9 | Metabotropic glutamate receptor 2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| 1533422 | 10.1021/jm00086a004 | Glutamate NMDA receptor | 1 |
| 9873391 | 10.1016/s0960-894x(98)00264-9 | Rattus norvegicus | 1 |
| 9873391 | 10.1016/s0960-894x(98)00264-9 | Metabotropic glutamate receptor 4 | 1 |
| 8568805 | 10.1021/jm950393q | Glutamate NMDA receptor | 1 |
| 9873391 | 10.1016/s0960-894x(98)00264-9 | Metabotropic glutamate receptor 1 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 5 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 4 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 2 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 1 | 1 |
| 8568805 | 10.1021/jm950393q | Rattus norvegicus | 1 |
| 8568805 | 10.1021/jm950393q | Glutamate receptor ionotropic, kainate | 1 |
| 8568805 | 10.1021/jm950393q | Glutamate receptor ionotropic, AMPA | 1 |
Data from ChEMBL 36 via Core Engine