Compound Detail
CHEMBL1481541
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Basic Information
| ChEMBL ID | CHEMBL1481541 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRONCDXHQCNSOW-UHFFFAOYSA-N |
3
Targets
5
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
3.48
ALogP
6
HBA
1
HBD
77.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.42
IC50 1 meas. best 8.52
Ki 1 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Tyrosinase CHEMBL3318 | Ki | 8.51 | 8.51 | 3.1 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.42 | 5.89 | 382.0 | 2 |
| H4 CHEMBL1075452 | EC50 | 4.18 | 4.18 | 66203.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 3.0 | nM | 8.52 | Inhibition of mushroom tyrosinase using L-DOPA as substrate | 34058664 |
| Tyrosinase | Ki | = | 3.1 | nM | 8.51 | Noncompetitive inhibition of mushroom tyrosinase assessed as dissociation consta... | 34058664 |
| Unchecked | EC50 | = | 382.0 | nM | 6.42 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Acti... | - |
| Unchecked | EC50 | = | 4372.0 | nM | 5.36 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... | - |
| H4 | EC50 | = | 66203.0 | nM | 4.18 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34058664 | 10.1016/j.bmc.2021.116222 | Tyrosinase | 8 |
| 34058664 | 10.1016/j.bmc.2021.116222 | B16-F10 | 8 |
Data from ChEMBL 36 via Core Engine