Compound Detail
CHEMBL1242553
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Basic Information
| ChEMBL ID | CHEMBL1242553 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWMIHBFCUYUTFG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
454.6
MW (Da)
7.07
ALogP
5
HBA
1
HBD
66.6
PSA (Ų)
0.31
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 6.92 | 6.92 | 121.0 | 1 |
| Receptor-type tyrosine-protein phosphatase F CHEMBL3521 | IC50 | 5.68 | 5.68 | 2067.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 2 CHEMBL3807 | IC50 | 5.68 | 5.68 | 2065.0 | 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 | = | 121.0 | nM | 6.92 | Inhibition of human recombinant PTP1B after 30 mins by spectrophotometry | 20627471 |
| Tyrosine-protein phosphatase non-receptor type 2 | IC50 | = | 2065.0 | nM | 5.68 | Inhibition of human recombinant TCPTP after 30 mins by spectrophotometry | 20627471 |
| Receptor-type tyrosine-protein phosphatase F | IC50 | = | 2067.0 | nM | 5.68 | Inhibition of human recombinant LAR after 30 mins by spectrophotometry | 20627471 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20627471 | 10.1016/j.ejmech.2010.05.020 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 20627471 | 10.1016/j.ejmech.2010.05.020 | Tyrosine-protein phosphatase non-receptor type 2 | 1 |
| 20627471 | 10.1016/j.ejmech.2010.05.020 | Receptor-type tyrosine-protein phosphatase F | 1 |
Data from ChEMBL 36 via Core Engine