Compound Detail
CHEMBL1087578
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 | CHEMBL1087578 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMCALLLWIUWUTM-LZWSPWQCSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
3.67
ALogP
5
HBA
3
HBD
109.5
PSA (Ų)
0.34
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.67
Ki 1 meas. best 4.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | Ki | 4.78 | 4.78 | 16700.0 | 1 |
| B16 CHEMBL381 | IC50 | 4.67 | 4.67 | 21200.0 | 1 |
| Tyrosinase CHEMBL3318 | IC50 | 4.51 | 4.51 | 30700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | Ki | = | 16700.0 | nM | 4.78 | Competitive inhibition of monophenolase activity of mushroom tyrosinase using as... | 20149498 |
| B16 | IC50 | = | 21200.0 | nM | 4.67 | Inhibition of alpha-MSH-induced melanin production in mouse B16 cells after 48 h... | 20149498 |
| Tyrosinase | IC50 | = | 30700.0 | nM | 4.51 | Inhibition of monophenolase activity of mushroom tyrosinase using as L-tyrosine ... | 20149498 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20149498 | 10.1016/j.ejmech.2010.01.049 | Tyrosinase | 3 |
| 20149498 | 10.1016/j.ejmech.2010.01.049 | B16 | 1 |
Data from ChEMBL 36 via Core Engine