Compound Detail
CHEMBL4160395
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Basic Information
| ChEMBL ID | CHEMBL4160395 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKFXNBZYAWFRIF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
3
PK Parameters
2
Publications
0
Known Names
Molecular Properties
434.4
MW (Da)
3.97
ALogP
7
HBA
1
HBD
87.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 7 CHEMBL3879 | IC50 | 6.15 | 6.15 | 708.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.052 | - | Rattus norvegicus |
| Fu | 0.039 | - | Mus musculus |
| Fu | 0.013 | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 7 | IC50 | = | 710.0 | nM | 6.15 | Negative allosteric modulation of rat mGlu7 expressed in HEK cells co-expressing... | 29259756 |
| Metabotropic glutamate receptor 7 | IC50 | = | 707.95 | nM | 6.15 | 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 | ADMET | 5 |
| 29259756 | 10.1021/acsmedchemlett.7b00429 | Metabotropic glutamate receptor 7 | 3 |
Data from ChEMBL 36 via Core Engine