Compound Detail
CHEMBL4169114
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Basic Information
| ChEMBL ID | CHEMBL4169114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVBPGGPLSRCXIM-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
422.4
MW (Da)
3.83
ALogP
7
HBA
1
HBD
87.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 7 CHEMBL3879 | IC50 | 6.3 | 6.285 | 501.2 | 4 |
| Metabotropic glutamate receptor 7 CHEMBL3777 | IC50 | 5.8 | 5.775 | 1584.9 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.072 | - | Rattus norvegicus |
| Fu | 0.086 | - | Mus musculus |
| Fu | 0.017 | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 7 | IC50 | = | 501.19 | nM | 6.3 | Negative allosteric modulation of rat mGlu7 in HEK cells expressing Galpha15 ass... | 35944850 |
| Metabotropic glutamate receptor 7 | IC50 | = | 510.0 | nM | 6.29 | Negative allosteric modulation of rat mGlu7 expressed in HEK cells co-expressing... | 29259756 |
| Metabotropic glutamate receptor 7 | IC50 | = | 512.86 | nM | 6.29 | Negative allosteric modulation of rat mGlu7 expressed in HEK cells co-expressing... | 29259756 |
| Metabotropic glutamate receptor 7 | IC50 | = | 550.0 | nM | 6.26 | Negative allosteric modulation of rat mGlu7 in HEK cells expressing Galpha15 ass... | 35944850 |
| Metabotropic glutamate receptor 7 | IC50 | = | 1584.89 | nM | 5.8 | Negative allosteric modulation of mGlu7 (unknown origin) in cells expressing G p... | 35944850 |
| Metabotropic glutamate receptor 7 | IC50 | = | 1800.0 | nM | 5.75 | Negative allosteric modulation of mGlu7 (unknown origin) in cells expressing G p... | 35944850 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35944850 | 10.1016/j.bmcl.2022.128923 | Metabotropic glutamate receptor 7 | 6 |
| 29259756 | 10.1021/acsmedchemlett.7b00429 | ADMET | 5 |
| 29259756 | 10.1021/acsmedchemlett.7b00429 | Metabotropic glutamate receptor 7 | 3 |
Data from ChEMBL 36 via Core Engine