Compound Detail
CHEMBL5408051
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Basic Information
| ChEMBL ID | CHEMBL5408051 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XECMMVJCMYEGKF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
451.1
MW (Da)
5.68
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.56
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Autotaxin CHEMBL3691 | IC50 | 5.18 | 5.18 | 6600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Autotaxin | IC50 | = | 6600.0 | nM | 5.18 | Inhibition of human ATX using LPC as substrate preincubated with compound for 15... | 36702053 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36702053 | 10.1016/j.ejmech.2023.115130 | Autotaxin | 1 |
Data from ChEMBL 36 via Core Engine