Compound Detail
CHEMBL601290
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Basic Information
| ChEMBL ID | CHEMBL601290 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSUVULGQJUHZHH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
293.3
MW (Da)
0.57
ALogP
4
HBA
3
HBD
102.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 7.1 | 7.1 | 80.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of PTP1B | 20000419 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of PTP1B | 21420867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20000419 | 10.1021/jm901090b | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 21420867 | 10.1016/j.bmc.2011.02.047 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine