Compound Detail
CHEMBL5434573
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Basic Information
| ChEMBL ID | CHEMBL5434573 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFZGCAMFVYIIHV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
3.81
ALogP
6
HBA
1
HBD
72.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic phosphodiesterase CHEMBL2363066 | IC50 | 6.48 | 6.48 | 330.0 | 1 |
| Autotaxin CHEMBL3691 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Autotaxin CHEMBL3826871 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic phosphodiesterase | IC50 | = | 330.0 | nM | 6.48 | Inhibition of PDE (unknown origin) | 36702053 |
| Autotaxin | IC50 | = | 900.0 | nM | 6.05 | Inhibition of human ATX using LPC as substrate preincubated with compound for 15... | 36702053 |
| Autotaxin | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of mouse 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 | 2 |
| 36702053 | 10.1016/j.ejmech.2023.115130 | 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine