Compound Detail
CHEMBL1779100
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1779100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEOASWSYPQXDDB-NTCAYCPXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
249.4
MW (Da)
2.59
ALogP
2
HBA
2
HBD
36.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B16 CHEMBL381 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B16 | IC50 | = | 1900.0 | nM | 5.72 | 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 |
Data from ChEMBL 36 via Core Engine