Compound Detail
CHEMBL259949
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Basic Information
| ChEMBL ID | CHEMBL259949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBXJCLUQQLLZFW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
4.06
ALogP
3
HBA
0
HBD
38.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 20000.0 | nM | 4.7 | Inhibition of human P-gp mediated [3H]vinblastine transport activity in human Ca... | 18276145 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18276145 | 10.1016/j.bmc.2008.01.055 | Caco-2 | 3 |
| 18276145 | 10.1016/j.bmc.2008.01.055 | Unchecked | 1 |
| 18276145 | 10.1016/j.bmc.2008.01.055 | ATP-dependent translocase ABCB1 | 1 |
Data from ChEMBL 36 via Core Engine