Compound Detail
CHEMBL29733
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Basic Information
| ChEMBL ID | CHEMBL29733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVROLXTXTZFNQT-FOWTUZBSSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
248.3
MW (Da)
4.21
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P388 CHEMBL389 | IC50 | 4.75 | 4.75 | 17700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 17700.0 | nM | 4.75 | Inhibitory activity was tested against P388 cells | 10212121 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10212121 | 10.1021/jm9806695 | P388 | 2 |
| 10212121 | 10.1021/jm9806695 | L1210 | 2 |
| 10212121 | 10.1021/jm9806695 | MOLT-4 | 2 |
| 10212121 | 10.1021/jm9806695 | CCRF-CEM | 2 |
| 37666364 | 10.1016/j.bmcl.2023.129467 | A549 | 2 |
| 37666364 | 10.1016/j.bmcl.2023.129467 | MCF7 | 1 |
| 37666364 | 10.1016/j.bmcl.2023.129467 | PANC-1 | 1 |
Data from ChEMBL 36 via Core Engine