Compound Detail
CHEMBL3899987
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Basic Information
| ChEMBL ID | CHEMBL3899987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABNFRXRJDVMBND-HNNXBMFYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
422.4
MW (Da)
4.75
ALogP
5
HBA
1
HBD
69.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Autotaxin CHEMBL3691 | IC50 | 6.44 | 5.96 | 366.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Autotaxin | IC50 | = | 366.0 | nM | 6.44 | Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholi... | 27780639 |
| Autotaxin | IC50 | = | 3294.0 | nM | 5.48 | Inhibition of ATX in human plasma assessed as decrease in hydrolysis of lysophos... | 27780639 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27780639 | 10.1016/j.bmcl.2016.10.036 | Autotaxin | 2 |
| 27780639 | 10.1016/j.bmcl.2016.10.036 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine