Compound Detail
CHEMBL408545
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Basic Information
| ChEMBL ID | CHEMBL408545 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLZJJEISIZAARO-UTCJRWHESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
196.1
MW (Da)
0.42
ALogP
3
HBA
3
HBD
87.0
PSA (Ų)
0.34
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 4.1 | 4.1 | 78731.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 78731.0 | nM | 4.1 | Agonist activity at human Vgamma9Vdelta2 receptor expressed in T cells assessed ... | 18303828 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18303828 | 10.1021/jm701101g | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine