Compound Detail
CHEMBL1928639
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Basic Information
| ChEMBL ID | CHEMBL1928639 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUBKHVQDEQOIQV-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
2.80
ALogP
7
HBA
2
HBD
106.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | IC50 | 5.27 | 5.27 | 5360.0 | 1 |
| Mushroom tyrosinase CHEMBL6066154 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.93 | 4.93 | 11610.0 | 1 |
| Molecular identity unknown CHEMBL612546 | IC50 | 4.75 | 4.75 | 17700.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 4.25 | 4.25 | 56470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 5360.0 | nM | 5.27 | Inhibition of mushroom tyrosinase activity using L-tyrosin as substrate after 20... | 22071299 |
| Mushroom tyrosinase | IC50 | = | 5400.0 | nM | 5.27 | Inhibition of mushroom Tyrosinase | 37487307 |
| Radical scavenging activity | IC50 | = | 11610.0 | nM | 4.93 | Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins | 22071299 |
| Molecular identity unknown | IC50 | = | 17700.0 | nM | 4.75 | Depigmentation activity in mouse Melan-a cells assessed as inhibition of melanin... | 22071299 |
| ADMET | IC50 | = | 56470.0 | nM | 4.25 | Cytotoxicity against mouse Melan-a cells by modified crystal voilet assay | 22071299 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22071299 | 10.1016/j.bmcl.2011.09.122 | Tyrosinase | 1 |
| 22071299 | 10.1016/j.bmcl.2011.09.122 | Radical scavenging activity | 1 |
| 22071299 | 10.1016/j.bmcl.2011.09.122 | Molecular identity unknown | 1 |
| 22071299 | 10.1016/j.bmcl.2011.09.122 | ADMET | 1 |
| 22071299 | 10.1016/j.bmcl.2011.09.122 | Unchecked | 1 |
| 37487307 | 10.1016/j.ejmech.2023.115672 | Mushroom tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine