Compound Detail
CHEMBL4636797
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Basic Information
| ChEMBL ID | CHEMBL4636797 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGPFWPAPWXBYPG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
301.4
MW (Da)
3.05
ALogP
4
HBA
2
HBD
69.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Autotaxin CHEMBL3691 | IC50 | 6.13 | 6.13 | 740.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Autotaxin | IC50 | = | 740.0 | nM | 6.13 | Inhibition of human ATX pre-incubated for 45 mins before fluorogenic substrate-3... | 32479084 |
| Autotaxin | IC50 | = | 740.0 | nM | 6.13 | Inhibition of glycosylated human ATX using FS-3 as substrate preincubated for 45... | 33032188 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32479084 | 10.1021/acs.jmedchem.0c00506 | Autotaxin | 1 |
| 33032188 | 10.1016/j.bmc.2020.115795 | Autotaxin | 1 |
Data from ChEMBL 36 via Core Engine