Compound Detail
CHEMBL4784550
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Basic Information
| ChEMBL ID | CHEMBL4784550 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZHUGSZHWFKIBC-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
448.5
MW (Da)
2.74
ALogP
8
HBA
1
HBD
92.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Autotaxin CHEMBL3691 | IC50 | 8.1 | 7.6433 | 8.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Autotaxin | IC50 | = | 8.0 | nM | 8.1 | Inhibition of recombinant human autotaxin assessed as reduction in LPA productio... | 33214812 |
| Autotaxin | IC50 | = | 8.0 | nM | 8.1 | Biochemical ATX Assay (Assay A): 5 nM recombinant ATX (Cayman Chemicals) was sup... | - |
| Autotaxin | IC50 | = | 186.0 | nM | 6.73 | Inhibition of ATX in human whole blood assessed as reduction in LPA level after ... | 33214812 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33214812 | 10.1021/acsmedchemlett.0c00467 | Autotaxin | 2 |
Data from ChEMBL 36 via Core Engine