Compound Detail
CHEMBL305785
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Basic Information
| ChEMBL ID | CHEMBL305785 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGOULVZYQKJJKC-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
351.3
MW (Da)
2.99
ALogP
4
HBA
3
HBD
115.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.77
Kd 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | Kd | 5.1 | 5.1 | 8000.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | Ki | 4.77 | 4.685 | 17000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | Kd | = | 8000.0 | nM | 5.1 | Dissociation constant towards protein-tyrosine phosphatase 1B of human was deter... | 12747781 |
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 17000.0 | nM | 4.77 | In vitro inhibition of human protein-tyrosine phosphatase 1B. | 12747781 |
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 25118.86 | nM | 4.6 | Inhibition of PTP1B | 19385614 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12747781 | 10.1021/jm0205696 | Tyrosine-protein phosphatase non-receptor type 1 | 2 |
| 19385614 | 10.1021/jm801444x | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine