Compound Detail
CHEMBL1818877
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 | CHEMBL1818877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYBBJPJQYIJFJO-RUDMXATFSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
168.2
MW (Da)
0.18
ALogP
2
HBA
3
HBD
66.2
PSA (Ų)
0.34
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.4
Ki 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | Ki | 7.1 | 7.1 | 80.0 | 1 |
| Tyrosinase CHEMBL3318 | IC50 | 5.4 | 5.25 | 3990.0 | 2 |
| Mushroom tyrosinase CHEMBL6066154 | IC50 | 5.4 | 5.4 | 3990.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | Ki | = | 80.0 | nM | 7.1 | Reversible mixed-type inhibition of mushroom tyrosinase using L-dopa as substrat... | 31015905 |
| Tyrosinase | IC50 | = | 3990.0 | nM | 5.4 | Inhibition of mushroom tyrosinase diphenolase activity using L-dopa as substrate | 31015905 |
| Mushroom tyrosinase | IC50 | = | 3990.0 | nM | 5.4 | Inhibition of mushroom Tyrosinase | 38762915 |
| Tyrosinase | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substr... | 21777998 |
| Trypanosoma cruzi | IC50 | = | 27000.0 | nM | 4.57 | Antitrypanosomal activity against Trypanosoma cruzi epimastigote assessed as par... | 36493616 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31015905 | 10.1039/C9MD00005D | Tyrosinase | 3 |
| 21777998 | 10.1016/j.ejmech.2011.07.003 | Tyrosinase | 1 |
| 21777998 | 10.1016/j.ejmech.2011.07.003 | No relevant target | 1 |
| 36493616 | 10.1016/j.ejmech.2022.115002 | Trypanosoma cruzi | 1 |
| 36493616 | 10.1016/j.ejmech.2022.115002 | Cruzipain | 1 |
| 38762915 | 10.1016/j.ejmech.2024.116470 | Mushroom tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine