Compound Detail
CHEMBL518439
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Basic Information
| ChEMBL ID | CHEMBL518439 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POVNRFORQPMQPM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
3.14
ALogP
6
HBA
2
HBD
90.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B16 CHEMBL381 | IC50 | 5.29 | 5.29 | 5070.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B16 | IC50 | = | 5070.0 | nM | 5.29 | Cytotoxicity against mouse B16 cells assessed as cell viability after 48 hrs by ... | 18583138 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18583138 | 10.1016/j.bmc.2008.06.002 | Unchecked | 1 |
| 18583138 | 10.1016/j.bmc.2008.06.002 | B16 | 1 |
| 18583138 | 10.1016/j.bmc.2008.06.002 | EA.hy 926 | 1 |
Data from ChEMBL 36 via Core Engine