Compound Detail
CHEMBL1956340
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COc1cc(Br)ccc1NC(=O)[C@H]1CC[C@H](N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)CC1
Basic Information
| ChEMBL ID | CHEMBL1956340 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQSKTYIAEHICGV-DLUWXUCTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
475.4
MW (Da)
3.99
ALogP
4
HBA
1
HBD
75.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Molecular identity unknown CHEMBL612546 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Molecular identity unknown | IC50 | = | 37.0 | nM | 7.43 | 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 |
| 22191557 | 10.1021/jm2010223 | H9 | 2 |
| 22191557 | 10.1021/jm2010223 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine