Compound Detail
CHEMBL5274620
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COc1ccc(-n2c(C(=O)NCC(=O)Nc3nc4ccc(OC)cc4s3)nc3ccccc3c2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL5274620 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQLKCDLMFWLTTD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
515.5
MW (Da)
3.38
ALogP
9
HBA
2
HBD
124.4
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.24 | 7.24 | 58.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 58.0 | nM | 7.24 | Inhibition of Wnt pathway (unknown origin) | 33822624 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33822624 | 10.1021/acs.jmedchem.0c01799 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine