Compound Detail
CHEMBL150885
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Basic Information
| ChEMBL ID | CHEMBL150885 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COEWIDPXIDEKBB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
462.6
MW (Da)
3.05
ALogP
8
HBA
2
HBD
90.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LoVo CHEMBL614721 | IC50 | 6.58 | 6.25 | 260.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LoVo | IC50 | = | 260.0 | nM | 6.58 | Inhibitory activity against human colon adenocarcinoma cell line LoVo. | 7853345 |
| LoVo | IC50 | = | 1200.0 | nM | 5.92 | Inhibitory activity against human colon adenocarcinoma cell line LoVo/Dx. | 7853345 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7853345 | 10.1021/jm00003a015 | LoVo | 2 |
| 7853345 | 10.1021/jm00003a015 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine