Compound Detail
CHEMBL5618838
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Basic Information
| ChEMBL ID | CHEMBL5618838 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTRFCUCEJIBDSE-SNVBAGLBSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
0.25
ALogP
6
HBA
4
HBD
110.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 2 CHEMBL3807 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| B16 CHEMBL381 | IC50 | 6.16 | 6.16 | 700.0 | 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 | = | 10.0 | nM | 8.0 | Inhibition of PTP1B (unknown origin) | 39178726 |
| Tyrosine-protein phosphatase non-receptor type 2 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of PTPN2 (unknown origin) | 39178726 |
| B16 | IC50 | = | 700.0 | nM | 6.16 | Antiproliferative activity against mouse B16 cells | 39178726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39178726 | 10.1016/j.ejmech.2024.116774 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 39178726 | 10.1016/j.ejmech.2024.116774 | Tyrosine-protein phosphatase non-receptor type 2 | 1 |
| 39178726 | 10.1016/j.ejmech.2024.116774 | B16 | 1 |
Data from ChEMBL 36 via Core Engine