Compound Detail
CHEMBL149467
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Basic Information
| ChEMBL ID | CHEMBL149467 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YBXSCCIGNSCEIS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
4.48
ALogP
6
HBA
2
HBD
84.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LoVo CHEMBL614721 | IC50 | 5.89 | 5.87 | 1300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LoVo | IC50 | = | 1300.0 | nM | 5.89 | Inhibitory activity against human colon adenocarcinoma cell line LoVo/Dx. | 7853345 |
| LoVo | IC50 | = | 1400.0 | nM | 5.85 | Inhibitory activity against human colon adenocarcinoma cell line LoVo. | 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