Compound Detail
CHEMBL3739990
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Basic Information
| ChEMBL ID | CHEMBL3739990 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZYTUGGFILDFRY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
4.55
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein phosphatase S CHEMBL2396508 | IC50 | 5.18 | 5.18 | 6600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein phosphatase S | IC50 | = | 6600.0 | nM | 5.18 | 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 | 2 |
Data from ChEMBL 36 via Core Engine