Compound Detail
CHEMBL4170997
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Basic Information
| ChEMBL ID | CHEMBL4170997 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMYVXIGUBXGCLK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
462.4
MW (Da)
4.75
ALogP
7
HBA
1
HBD
87.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 7 CHEMBL3879 | IC50 | 5.87 | 5.86 | 1349.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 7 | IC50 | = | 1348.96 | nM | 5.87 | Negative allosteric modulation of rat mGlu7 expressed in HEK cells co-expressing... | 29259756 |
| Metabotropic glutamate receptor 7 | IC50 | = | 1400.0 | nM | 5.85 | 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 |
Data from ChEMBL 36 via Core Engine