Compound Detail
CHEMBL398538
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Basic Information
| ChEMBL ID | CHEMBL398538 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTBNRWGTJUMXPA-KPKJPENVSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
3.13
ALogP
5
HBA
2
HBD
79.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein tyrosine phosphatase type IVA 3 CHEMBL4162 | IC50 | 4.88 | 4.68 | 13300.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein tyrosine phosphatase type IVA 3 | IC50 | = | 13300.0 | nM | 4.88 | Inhibition of human PRL3 expressed in Escherichia coli BL21 (DE3) | 18358718 |
| Protein tyrosine phosphatase type IVA 3 | IC50 | = | 13300.0 | nM | 4.88 | Inhibition of recombinant human PTP4A3 expressed in Escherichia coli BL21 (DE3) ... | 31307888 |
| Protein tyrosine phosphatase type IVA 3 | IC50 | = | 53000.0 | nM | 4.28 | Inhibition of PRL3 (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 | Protein tyrosine phosphatase type IVA 3 | 2 |
| 18358718 | 10.1016/j.bmcl.2008.03.013 | 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 |
| 25159123 | 10.1016/j.ejmech.2014.08.060 | HEK293 | 1 |
| 31307888 | 10.1016/j.bmcl.2019.06.048 | Protein tyrosine phosphatase type IVA 3 | 1 |
Data from ChEMBL 36 via Core Engine