Compound Detail
CHEMBL246622
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Basic Information
| ChEMBL ID | CHEMBL246622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXELBUJPXRMMLF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
290.3
MW (Da)
1.91
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 5.11 | 5.11 | 7780.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.05 | 5.05 | 8940.0 | 1 |
| Tyrosinase CHEMBL1973 | IC50 | 4.82 | 4.82 | 15210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 7780.0 | nM | 5.11 | DPPH radical scavenging activity after 30 mins | 17693086 |
| Unchecked | IC50 | = | 8940.0 | nM | 5.05 | Inhibition of melanin formation in Melan-a cells after 5 days | 17693086 |
| Tyrosinase | IC50 | = | 15210.0 | nM | 4.82 | Inhibition of tyrosinase in Melan-a cells | 17693086 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17693086 | 10.1016/j.bmcl.2007.07.032 | Tyrosinase | 1 |
| 17693086 | 10.1016/j.bmcl.2007.07.032 | ADMET | 1 |
| 17693086 | 10.1016/j.bmcl.2007.07.032 | Unchecked | 1 |
| 17693086 | 10.1016/j.bmcl.2007.07.032 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine