Compound Detail
CHEMBL3393150
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Basic Information
| ChEMBL ID | CHEMBL3393150 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEKZYRMZNTZRDB-FPYGCLRLSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
375.0
MW (Da)
3.39
ALogP
4
HBA
1
HBD
70.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein tyrosine phosphatase type IVA 1 CHEMBL1075169 | IC50 | 4.05 | 4.05 | 89100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein tyrosine phosphatase type IVA 1 | IC50 | = | 89100.0 | nM | 4.05 | Inhibition of PRL1 (unknown origin) using DiFMUP as fluorogenic phosphate substr... | 25159123 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25159123 | 10.1016/j.ejmech.2014.08.060 | Unchecked | 3 |
| 25159123 | 10.1016/j.ejmech.2014.08.060 | HEK293 | 3 |
| 25159123 | 10.1016/j.ejmech.2014.08.060 | Protein tyrosine phosphatase type IVA 3 | 1 |
| 25159123 | 10.1016/j.ejmech.2014.08.060 | Protein tyrosine phosphatase type IVA 2 | 1 |
| 25159123 | 10.1016/j.ejmech.2014.08.060 | Protein tyrosine phosphatase type IVA 1 | 1 |
| 25159123 | 10.1016/j.ejmech.2014.08.060 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine