Compound Detail
CHEMBL43412
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Basic Information
| ChEMBL ID | CHEMBL43412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNSHLWJBSDBBRH-XOJFDHPMSA-N |
2
Targets
10
Activities
3
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
185.2
MW (Da)
-0.35
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.6
EC50 2 meas.
Ki 2 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 CHEMBL3772 | IC50 | 4.6 | 4.58 | 25000.0 | 5 |
| Metabotropic glutamate receptor 1 CHEMBL3772 | Ki | 4.6 | 4.6 | 25000.0 | 1 |
| Metabotropic glutamate receptor 1 CHEMBL4477 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 | IC50 | = | 25000.0 | nM | 4.6 | Inhibitory activity against Metabotropic glutamate receptor 1 in the rat LLC-PK1... | 10229625 |
| Metabotropic glutamate receptor 1 | IC50 | = | 25000.0 | nM | 4.6 | The compound was tested for inhibitory effect on second messenger formation in B... | 8709120 |
| Metabotropic glutamate receptor 1 | IC50 | = | 25000.0 | nM | 4.6 | Antagonist activity at mGlu1 receptor | 17489573 |
| Metabotropic glutamate receptor 1 | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of mGluR1a receptor | 21413808 |
| Metabotropic glutamate receptor 1 | IC50 | = | 25000.0 | nM | 4.6 | Antagonist activity at mGluR1alpha (unknown origin) | 34591488 |
| Metabotropic glutamate receptor 1 | Ki | = | 25000.0 | nM | 4.6 | Agonist potency against cloned human metabotropic glutamate receptor 1 | 10893301 |
| Metabotropic glutamate receptor 1 | IC50 | = | 32000.0 | nM | 4.5 | Inhibitory activity against mGluR1 receptor | 9873392 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8709120 | 10.1021/jm960254o | Metabotropic glutamate receptor 5 | 3 |
| 10229625 | 10.1021/jm980571q | Metabotropic glutamate receptor 2 | 2 |
| 8709120 | 10.1021/jm960254o | Metabotropic glutamate receptor 1 | 2 |
| 8709120 | 10.1021/jm960254o | Metabotropic glutamate receptor 2 | 2 |
| 8709120 | 10.1021/jm960254o | Metabotropic glutamate receptor 4 | 2 |
| 15801843 | 10.1021/jm049092j | Metabotropic glutamate receptor 4 | 2 |
| 10229625 | 10.1021/jm980571q | Metabotropic glutamate receptor 1 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 1 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 2 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 4 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 5 | 1 |
| 9873392 | 10.1016/s0960-894x(98)00265-0 | Metabotropic glutamate receptor 5 | 1 |
| 9873392 | 10.1016/s0960-894x(98)00265-0 | Metabotropic glutamate receptor 1 | 1 |
| 17489573 | 10.1021/jm060950g | Metabotropic glutamate receptor 1 | 1 |
| 21413808 | 10.1021/jm1013693 | Metabotropic glutamate receptor 1 | 1 |
| 34591488 | 10.1021/acs.jmedchem.1c01215 | Metabotropic glutamate receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine