Compound Detail
CHEMBL90023
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Basic Information
| ChEMBL ID | CHEMBL90023 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWKSFMHWUNFKNZ-UKTHLTGXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
286.2
MW (Da)
2.81
ALogP
2
HBA
2
HBD
50.7
PSA (Ų)
0.38
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B16 CHEMBL381 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B16 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of alpha-MSH-induced melanin production in mouse B16 cells after 3 da... | 21601449 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21601449 | 10.1016/j.bmcl.2011.04.146 | B16 | 2 |
| 12061873 | 10.1021/jm010459j | Cruzipain | 1 |
Data from ChEMBL 36 via Core Engine