Compound Detail
CHEMBL406603
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OC[C@H](Cc1ccccc1)Nc1nc(Oc2cccc(-c3ccccc3)c2)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL406603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNVIYEGKDVLDNG-UMSFTDKQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
603.7
MW (Da)
8.02
ALogP
7
HBA
2
HBD
85.1
PSA (Ų)
0.16
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | EC50 | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | EC50 | = | 3100.0 | nM | 5.51 | Effect on Wnt/beta-casein reporter pathway in HEK293 cells expressing super(8X)T... | 17460038 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17460038 | 10.1073/pnas.0702136104 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine