Compound Detail
CHEMBL5590840
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 | CHEMBL5590840 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCVNWXZRBBCASB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
196.2
MW (Da)
2.02
ALogP
5
HBA
1
HBD
69.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mushroom tyrosinase CHEMBL6066154 | IC50 | 4.91 | 4.885 | 12250.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mushroom tyrosinase | IC50 | = | 12250.0 | nM | 4.91 | Inhibition of mushroom tyrosinase using L-tyrosine as substrate incubated for 30... | 39002182 |
| Mushroom tyrosinase | IC50 | = | 13760.0 | nM | 4.86 | Inhibition of mushroom tyrosinase using L-DOPA as substrate incubated for 30 min... | 39002182 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39002182 | 10.1016/j.bmc.2024.117832 | B16-F10 | 3 |
| 39002182 | 10.1016/j.bmc.2024.117832 | Mushroom tyrosinase | 2 |
| 39002182 | 10.1016/j.bmc.2024.117832 | No relevant target | 2 |
| 39002182 | 10.1016/j.bmc.2024.117832 | Tyrosinase | 1 |
| 39002182 | 10.1016/j.bmc.2024.117832 | HaCaT | 1 |
Data from ChEMBL 36 via Core Engine