Compound Detail
CHEMBL361116
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Basic Information
| ChEMBL ID | CHEMBL361116 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTLBZXHPXPXFNU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
215.2
MW (Da)
0.71
ALogP
5
HBA
2
HBD
93.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL3227 | IC50 | 5.45 | 5.45 | 3536.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | IC50 | = | 3536.0 | nM | 5.45 | Inhibitory concentration against human recombinant metabotropic glutamate recept... | 15686941 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3988442 | Unchecked | 3 |
| - | 10.6019/CHEMBL4513160 | Pseudomonas aeruginosa | 2 |
| 15686941 | 10.1016/j.bmcl.2004.11.078 | Metabotropic glutamate receptor 5 | 1 |
| - | 10.6019/CHEMBL4513160 | Acinetobacter baumannii | 1 |
Data from ChEMBL 36 via Core Engine