Compound Detail
CHEMBL379422
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Basic Information
| ChEMBL ID | CHEMBL379422 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHDGYNGNTRUHKH-NVNXTCNLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
440.8
MW (Da)
5.17
ALogP
4
HBA
1
HBD
38.3
PSA (Ų)
0.53
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein tyrosine phosphatase type IVA 3 CHEMBL4162 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein tyrosine phosphatase type IVA 3 | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of human recombinant PRL-3 | 16530413 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16530413 | 10.1016/j.bmcl.2006.02.060 | Protein tyrosine phosphatase type IVA 3 | 1 |
Data from ChEMBL 36 via Core Engine