Compound Detail
CHEMBL2031852
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Basic Information
| ChEMBL ID | CHEMBL2031852 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBCISYQNXWHTEQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
3.88
ALogP
7
HBA
2
HBD
106.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Molecular identity unknown CHEMBL612546 | IC50 | 5.05 | 5.05 | 8920.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 4.57 | 4.57 | 26780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Molecular identity unknown | IC50 | = | 8920.0 | nM | 5.05 | Depigmentation activity in mouse Melan-a cells after 4 days by spectrophotometry | 22579419 |
| ADMET | IC50 | = | 26780.0 | nM | 4.57 | Cytotoxicity against mouse Melan-a cells after 4 days by crystal voilet method | 22579419 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22579419 | 10.1016/j.bmcl.2012.04.046 | Tyrosinase | 2 |
| 22579419 | 10.1016/j.bmcl.2012.04.046 | Molecular identity unknown | 1 |
| 22579419 | 10.1016/j.bmcl.2012.04.046 | ADMET | 1 |
| 22579419 | 10.1016/j.bmcl.2012.04.046 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine