Compound Detail
CHEMBL3950972
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Basic Information
| ChEMBL ID | CHEMBL3950972 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZIUUCTTWZPXOV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
3.26
ALogP
6
HBA
0
HBD
58.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Molecular identity unknown CHEMBL612546 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Molecular identity unknown | IC50 | = | 600.0 | nM | 6.22 | Inhibition of Wnt signalling in human STF/293 cells assessed as suppression of T... | 27490091 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27490091 | 10.1021/acs.jnatprod.6b00409 | NON-PROTEIN TARGET | 1 |
| 27490091 | 10.1021/acs.jnatprod.6b00409 | HEK293 | 1 |
| 27490091 | 10.1021/acs.jnatprod.6b00409 | Molecular identity unknown | 1 |
| 29680749 | 10.1016/j.bmc.2018.04.025 | Staphylococcus aureus | 1 |
| 29680749 | 10.1016/j.bmc.2018.04.025 | Escherichia coli | 1 |
| 29680749 | 10.1016/j.bmc.2018.04.025 | Candida albicans | 1 |
| 29680749 | 10.1016/j.bmc.2018.04.025 | IEC-6 | 1 |
Data from ChEMBL 36 via Core Engine