Compound Detail
CHEMBL4160779
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Basic Information
| ChEMBL ID | CHEMBL4160779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMVRQKDHIRRQCD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
358.8
MW (Da)
3.19
ALogP
6
HBA
1
HBD
78.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 7 CHEMBL3879 | IC50 | 5.24 | 5.24 | 5754.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 7 | IC50 | = | 5800.0 | nM | 5.24 | Negative allosteric modulation of rat mGlu7 expressed in HEK cells co-expressing... | 29259756 |
| Metabotropic glutamate receptor 7 | IC50 | = | 5754.4 | nM | 5.24 | Negative allosteric modulation of rat mGlu7 expressed in HEK cells co-expressing... | 29259756 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29259756 | 10.1021/acsmedchemlett.7b00429 | Metabotropic glutamate receptor 7 | 3 |
| 29259756 | 10.1021/acsmedchemlett.7b00429 | ADMET | 2 |
| 29259756 | 10.1021/acsmedchemlett.7b00429 | Metabotropic glutamate receptor 8 | 1 |
| 29259756 | 10.1021/acsmedchemlett.7b00429 | Metabotropic glutamate receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine