Compound Detail
CHEMBL4096036
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Basic Information
| ChEMBL ID | CHEMBL4096036 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDYRNZSMVOPFDX-VQHVLOKHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
283.3
MW (Da)
2.74
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B16 CHEMBL381 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B16 | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of alpha-MSH-stimulated melanogenesis in mouse B16 cells assessed as ... | 28619537 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28619537 | 10.1016/j.bmcl.2017.06.011 | B16 | 3 |
Data from ChEMBL 36 via Core Engine