Compound Detail
CHEMBL569270
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Basic Information
| ChEMBL ID | CHEMBL569270 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTPGRZGMQVAYAA-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
3.06
ALogP
6
HBA
1
HBD
71.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.74
Ki 2 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 CHEMBL3772 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL2564 | Ki | 5.68 | 5.68 | 2096.0 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL3227 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL3227 | Ki | 5.1 | 5.1 | 7900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 | IC50 | = | 1.8 | nM | 8.74 | Antagonist activity at human mGluR1 receptor expressed in CHO cells by FLIPR ass... | 19674894 |
| Metabotropic glutamate receptor 5 | Ki | = | 2096.0 | nM | 5.68 | Binding affinity to mGluR5 in rat brain | 24147864 |
| Metabotropic glutamate receptor 5 | IC50 | = | 7900.0 | nM | 5.1 | Antagonist activity at human mGluR5 receptor expressed in CHO cells by FLIPR ass... | 19674894 |
| Metabotropic glutamate receptor 5 | Ki | = | 7900.0 | nM | 5.1 | Binding affinity to human mGluR5 by PDSP assay | 24147864 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24147864 | 10.1021/jm4012017 | Metabotropic glutamate receptor 5 | 2 |
| 24147864 | 10.1021/jm4012017 | Unchecked | 2 |
| 24147864 | 10.1021/jm4012017 | Mu-type opioid receptor | 1 |
| 24147864 | 10.1021/jm4012017 | 5-hydroxytryptamine receptor 2A | 1 |
| 24147864 | 10.1021/jm4012017 | Histamine H1 receptor | 1 |
| 24147864 | 10.1021/jm4012017 | Histamine H3 receptor | 1 |
| 24147864 | 10.1021/jm4012017 | Kappa-type opioid receptor | 1 |
| 24147864 | 10.1021/jm4012017 | Muscarinic acetylcholine receptor M1 | 1 |
| 24147864 | 10.1021/jm4012017 | Muscarinic acetylcholine receptor M2 | 1 |
| 24147864 | 10.1021/jm4012017 | Muscarinic acetylcholine receptor M3 | 1 |
| 24147864 | 10.1021/jm4012017 | Muscarinic acetylcholine receptor M4 | 1 |
| 24147864 | 10.1021/jm4012017 | Muscarinic acetylcholine receptor M5 | 1 |
| 19674894 | 10.1016/j.bmcl.2009.07.097 | Metabotropic glutamate receptor 1 | 1 |
| 24147864 | 10.1021/jm4012017 | Sodium-dependent noradrenaline transporter | 1 |
| 24147864 | 10.1021/jm4012017 | Glutamate [NMDA] receptor | 1 |
| 24147864 | 10.1021/jm4012017 | Sodium-dependent serotonin transporter | 1 |
| 24147864 | 10.1021/jm4012017 | Translocator protein | 1 |
| 24147864 | 10.1021/jm4012017 | Sigma non-opioid intracellular receptor 1 | 1 |
| 19674894 | 10.1016/j.bmcl.2009.07.097 | No relevant target | 1 |
| 19674894 | 10.1016/j.bmcl.2009.07.097 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine