Compound Detail
CHEMBL1956336
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O=C(Nc1cccc2cccnc12)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL1956336 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDFKVHKQFYSLOH-NLZGTENKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
4.19
ALogP
4
HBA
1
HBD
79.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Molecular identity unknown CHEMBL612546 | IC50 | 6.38 | 6.38 | 412.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Molecular identity unknown | IC50 | = | 412.0 | nM | 6.38 | Inhibition of beta-casein-dependent canonical Wnt3 pathway in human HEK293T cell... | 22191557 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22191557 | 10.1021/jm2010223 | Molecular identity unknown | 2 |
Data from ChEMBL 36 via Core Engine