Compound Detail
CHEMBL3955188
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Basic Information
| ChEMBL ID | CHEMBL3955188 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFISEEHEDYLAHH-UHFFFAOYSA-N |
8
Targets
15
Activities
2
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
4.03
ALogP
5
HBA
1
HBD
91.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 8.23
Ki 5 meas. best 9.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL5137 | Ki | 9.72 | 9.72 | 0.2 | 1 |
| Metabotropic glutamate receptor 2 CHEMBL5137 | IC50 | 8.23 | 7.946 | 5.9 | 5 |
| Adenosine Transporter CHEMBL4524127 | Ki | 5.65 | 5.65 | 2260.0 | 1 |
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 5.53 | 5.48 | 2970.0 | 3 |
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL1940 | IC50 | 5.29 | 5.29 | 5100.0 | 1 |
| Metabotropic glutamate receptor 6 CHEMBL4573 | IC50 | 5.01 | 5.01 | 9830.0 | 1 |
| Metabotropic glutamate receptor 3 CHEMBL2888 | IC50 | 4.72 | 4.72 | 19040.0 | 1 |
| Metabotropic glutamate receptor 8 CHEMBL3228 | IC50 | 4.57 | 4.57 | 26670.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.55 | 4.55 | 28290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine