Compound Detail
CHEMBL3288549
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Basic Information
| ChEMBL ID | CHEMBL3288549 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMQYZNBTAUBAKE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
270.2
MW (Da)
2.32
ALogP
6
HBA
1
HBD
93.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 4.98 | 4.98 | 10400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 10400.0 | nM | 4.98 | Inhibition of Wnt signaling in human HT29 cells assessed as inhibition of beta-c... | 24950489 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24950489 | 10.1016/j.ejmech.2014.05.071 | HT-29 | 17 |
| 32134652 | 10.1021/acs.jmedchem.9b01967 | Autotaxin | 2 |
| 24950489 | 10.1016/j.ejmech.2014.05.071 | LoVo | 1 |
| 24950489 | 10.1016/j.ejmech.2014.05.071 | HepG2 | 1 |
| 24950489 | 10.1016/j.ejmech.2014.05.071 | A549 | 1 |
| 24950489 | 10.1016/j.ejmech.2014.05.071 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine