Compound Detail
CHEMBL1956341
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O=C1[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1[C@H]1CC[C@H](C(=O)Nc2cncc(O)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL1956341 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXAJZSQTQQZVTD-UVRXJMRQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
383.4
MW (Da)
2.32
ALogP
5
HBA
2
HBD
99.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Molecular identity unknown CHEMBL612546 | IC50 | 6.82 | 6.82 | 152.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Molecular identity unknown | IC50 | = | 152.0 | nM | 6.82 | 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 |
Data from ChEMBL 36 via Core Engine