Compound Detail
CHEMBL2012552
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Basic Information
| ChEMBL ID | CHEMBL2012552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEYPVVQPBVNMDM-DUXPYHPUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
316.3
MW (Da)
1.48
ALogP
7
HBA
1
HBD
95.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Molecular identity unknown CHEMBL612546 | IC50 | 4.33 | 4.33 | 46640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Molecular identity unknown | IC50 | = | 46640.0 | nM | 4.33 | Depigmenting activity in mouse Melan-a cells assessed as melanin production | 22330633 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22330633 | 10.1016/j.bmcl.2012.01.032 | ADMET | 2 |
| 22330633 | 10.1016/j.bmcl.2012.01.032 | Tyrosinase | 1 |
| 22330633 | 10.1016/j.bmcl.2012.01.032 | Molecular identity unknown | 1 |
Data from ChEMBL 36 via Core Engine