Compound Detail
CHEMBL4755691
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Basic Information
| ChEMBL ID | CHEMBL4755691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHTVSUZSDIFVQE-MDWZMJQESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
312.3
MW (Da)
3.80
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.01 | 5.11 | 980.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 980.0 | nM | 6.01 | Induction of IL2-stimulated human PBMC-derived Vgamma9Vdelta2 T cells proliferat... | 32912439 |
| Unchecked | EC50 | = | 62000.0 | nM | 4.21 | Induction of IL2-stimulated IFNgamma production in human PBMC-derived Vgamma9Vde... | 32912439 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32912439 | 10.1016/j.bmc.2020.115666 | Unchecked | 5 |
| 32912439 | 10.1016/j.bmc.2020.115666 | ADMET | 4 |
| 32912439 | 10.1016/j.bmc.2020.115666 | K562 | 1 |
Data from ChEMBL 36 via Core Engine