Compound Detail
CHEMBL2316502
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Basic Information
| ChEMBL ID | CHEMBL2316502 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJGGFHCGDNFLRX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
3.70
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.88 | 4.88 | 13300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 13300.0 | nM | 4.88 | Inhibition of melanogenesis in mouse B16-4A5 cells after 72 hrs by spectrophotom... | 23270663 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23270663 | 10.1016/j.bmc.2012.11.038 | Unchecked | 6 |
| 23270663 | 10.1016/j.bmc.2012.11.038 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine