Compound Detail
CHEMBL3609729
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Basic Information
| ChEMBL ID | CHEMBL3609729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MIQNXKWDQRNHAU-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
1
PK Parameters
9
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
2.68
ALogP
6
HBA
2
HBD
79.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 4 CHEMBL2736 | EC50 | 8.4 | 7.6533 | 4.0 | 3 |
| Metabotropic glutamate receptor 4 CHEMBL2787 | EC50 | 8.05 | 8.05 | 9.0 | 1 |
| Metabotropic glutamate receptor 8 CHEMBL2718 | EC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Metabotropic glutamate receptor 8 CHEMBL3228 | EC50 | 5.92 | 5.92 | 1200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.1167 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 4 | EC50 | = | 4.0 | nM | 8.4 | Positive allosteric modulator activity at human mGlu4 receptor | 26231155 |
| Metabotropic glutamate receptor 4 | EC50 | = | 9.0 | nM | 8.05 | Positive allosteric modulator activity at rat mGlu4 receptor | 26231155 |
| Metabotropic glutamate receptor 4 | EC50 | = | 52.0 | nM | 7.28 | Positive allosteric modulation of human mGlu4 receptor expressed in CHO cells co... | 29057060 |
| Metabotropic glutamate receptor 4 | EC50 | = | 52.0 | nM | 7.28 | Positive allosteric modulation of mGluR4 (unknown origin) | 36528230 |
| Metabotropic glutamate receptor 8 | EC50 | = | 1200.0 | nM | 5.92 | Positive allosteric modulation of rat mGlu8 receptor expressed in HEK cells co-e... | 29057060 |
| Metabotropic glutamate receptor 8 | EC50 | = | 1200.0 | nM | 5.92 | Positive allosteric modulation of mGluR8 (unknown origin) | 36528230 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26231155 | 10.1016/j.bmcl.2015.07.031 | Metabotropic glutamate receptor 4 | 2 |
| 26231155 | 10.1016/j.bmcl.2015.07.031 | Liver microsome | 1 |
| 26231155 | 10.1016/j.bmcl.2015.07.031 | ADMET | 1 |
| 29057060 | 10.1021/acsmedchemlett.7b00317 | Metabotropic glutamate receptor 7 | 1 |
| 29057060 | 10.1021/acsmedchemlett.7b00317 | Metabotropic glutamate receptor 8 | 1 |
| 29057060 | 10.1021/acsmedchemlett.7b00317 | Metabotropic glutamate receptor 4 | 1 |
| 36528230 | 10.1016/j.bmcl.2022.129106 | Metabotropic glutamate receptor 4 | 1 |
| 36528230 | 10.1016/j.bmcl.2022.129106 | Metabotropic glutamate receptor 7 | 1 |
| 36528230 | 10.1016/j.bmcl.2022.129106 | Metabotropic glutamate receptor 8 | 1 |
Data from ChEMBL 36 via Core Engine