Compound Detail
CHEMBL2147165
DALENIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2147165 |
| Name | DALENIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBECBPJJXYKUJE-UHFFFAOYSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
3.69
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.7
IC50 3 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | IC50 | 6.58 | 5.655 | 260.0 | 2 |
| Tyrosinase CHEMBL3318 | Ki | 5.7 | 5.41 | 1980.0 | 2 |
| Mushroom tyrosinase CHEMBL6066154 | IC50 | 4.73 | 4.73 | 18610.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 260.0 | nM | 6.58 | Inhibition of mushroom tyrosinase using as L-tyrosine substrate after 10 mins by... | 21561780 |
| Tyrosinase | Ki | = | 1980.0 | nM | 5.7 | Inhibition of mushroom tyrosinase assessed as inhibition constant for compound-f... | 21561780 |
| Tyrosinase | Ki | = | 7600.0 | nM | 5.12 | Inhibition of mushroom tyrosinase assessed as inhibition constant for compound-e... | 21561780 |
| Tyrosinase | IC50 | = | 18610.0 | nM | 4.73 | Inhibition of mushroom tyrosinase using as L-DOPA substrate after 2 mins by spec... | 21561780 |
| Mushroom tyrosinase | IC50 | = | 18610.0 | nM | 4.73 | Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA substrate | 27647371 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21561780 | 10.1016/j.bmc.2011.04.025 | Tyrosinase | 21 |
| 21561780 | 10.1016/j.bmc.2011.04.025 | No relevant target | 1 |
| 27647371 | 10.1016/j.bmc.2016.08.023 | Mushroom tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine