Compound Detail
CHEMBL4174742
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Basic Information
| ChEMBL ID | CHEMBL4174742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPKZCQHJDFSOJT-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
3.77
ALogP
3
HBA
0
HBD
43.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 7 CHEMBL3777 | IC50 | 7.2 | 7.2 | 63.0 | 1 |
| Metabotropic glutamate receptor 7 CHEMBL3879 | IC50 | 6.19 | 6.1767 | 650.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 7 | IC50 | = | 63.0 | nM | 7.2 | Negative allosteric modulator activity at human mGlu7 assessed as reduction in C... | 30881607 |
| Metabotropic glutamate receptor 7 | IC50 | = | 650.0 | nM | 6.19 | Negative allosteric modulation of rat mGlu7 receptor expressed in HEK cells co-e... | 29057060 |
| Metabotropic glutamate receptor 7 | IC50 | = | 676.0 | nM | 6.17 | Negative allosteric modulation of rat mGlu7 expressed in HEK cells co-expressing... | 29259756 |
| Metabotropic glutamate receptor 7 | IC50 | = | 676.08 | nM | 6.17 | 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 | Mus musculus | 1 |
| 29057060 | 10.1021/acsmedchemlett.7b00317 | Metabotropic glutamate receptor 4 | 1 |
| 29057060 | 10.1021/acsmedchemlett.7b00317 | Metabotropic glutamate receptor 7 | 1 |
| 29057060 | 10.1021/acsmedchemlett.7b00317 | Metabotropic glutamate receptor 8 | 1 |
| 30881607 | 10.1039/C8MD00524A | Metabotropic glutamate receptor 7 | 1 |
| - | 10.6019/CHEMBL5665443 | Methyl-CpG-binding domain protein 4 | 1 |
| - | 10.6019/CHEMBL5665443 | DNA-3-methyladenine glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | Adenine DNA glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease 8-like 1 | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease 8-like 2 | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease III-like protein 1 | 1 |
| - | 10.6019/CHEMBL5665443 | N-glycosylase/DNA lyase | 1 |
| - | 10.6019/CHEMBL5665443 | Single-strand selective monofunctional uracil DNA glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | G/T mismatch-specific thymine DNA glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | Uracil-DNA glycosylase | 1 |
Data from ChEMBL 36 via Core Engine