Compound Detail
CHEMBL5190487
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Basic Information
| ChEMBL ID | CHEMBL5190487 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOOPPRLRYRXMSW-CMDGGOBGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
417.9
MW (Da)
6.66
ALogP
4
HBA
1
HBD
72.6
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.76 | 5.76 | 1750.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 2 CHEMBL3807 | IC50 | 4.44 | 4.44 | 36150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 1750.0 | nM | 5.76 | Inhibition of PTP1B (unknown origin) by SpectraMax 340 microplate reader Analysi... | 34000484 |
| Tyrosine-protein phosphatase non-receptor type 2 | IC50 | = | 36150.0 | nM | 4.44 | Inhibition of TCPTP (unknown origin) by SpectraMax 340 microplate reader Analysi... | 34000484 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34000484 | 10.1016/j.ejmech.2021.113511 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 34000484 | 10.1016/j.ejmech.2021.113511 | Tyrosine-protein phosphatase non-receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine