Compound Detail
CHEMBL2031846
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 | CHEMBL2031846 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBVJFNVNSYYQIO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
278.2
MW (Da)
1.11
ALogP
7
HBA
3
HBD
117.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | IC50 | 5.46 | 5.45 | 3510.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 3510.0 | nM | 5.46 | Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 20 mins by... | 22579419 |
| Tyrosinase | IC50 | = | 3610.0 | nM | 5.44 | Inhibition of mushroom tyrosinase using L-DOPA as substrate after 20 mins by spe... | 22579419 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22579419 | 10.1016/j.bmcl.2012.04.046 | Tyrosinase | 2 |
| 22579419 | 10.1016/j.bmcl.2012.04.046 | Molecular identity unknown | 1 |
| 22579419 | 10.1016/j.bmcl.2012.04.046 | ADMET | 1 |
| 22579419 | 10.1016/j.bmcl.2012.04.046 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine