Compound Detail
CHEMBL1939442
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Basic Information
| ChEMBL ID | CHEMBL1939442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXZWCZQTJWPWAF-DEDYPNTBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
4.47
ALogP
2
HBA
2
HBD
36.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B16 CHEMBL381 | IC50 | 6.24 | 6.24 | 580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B16 | IC50 | = | 580.0 | nM | 6.24 | Antimelanogenic activity at alpha-MSH-stimulated mouse melanoma B16 cells after ... | 22217872 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22217872 | 10.1016/j.bmcl.2011.12.035 | B16 | 2 |
| 30389409 | 10.1016/j.bmc.2018.10.030 | Low molecular weight protein-tyrosine phosphatase A | 2 |
Data from ChEMBL 36 via Core Engine