Compound Detail
CHEMBL3740878
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Basic Information
| ChEMBL ID | CHEMBL3740878 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCFZFCPTKOMFCX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
260.2
MW (Da)
2.17
ALogP
6
HBA
3
HBD
104.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein phosphatase S CHEMBL2396508 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein phosphatase S | IC50 | = | 900.0 | nM | 6.05 | Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nit... | 26602279 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26602279 | 10.1016/j.bmcl.2015.11.026 | Receptor-type tyrosine-protein phosphatase S | 3 |
Data from ChEMBL 36 via Core Engine