Compound Detail
CHEMBL2325506
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COc1ccc(-n2c(SCC(=O)Nc3nc4ccc(C(F)(F)F)cc4s3)nc3c(c2=O)SCC3)cc1
Basic Information
| ChEMBL ID | CHEMBL2325506 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVGZFCLKYRNLEW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
550.6
MW (Da)
5.25
ALogP
9
HBA
1
HBD
86.1
PSA (Ų)
0.26
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein-serine O-palmitoleoyltransferase porcupine CHEMBL1255164 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein-serine O-palmitoleoyltransferase porcupine | EC50 | = | 100.0 | nM | 7.0 | Inhibition of porcupine-mediated Wnt signalling in mouse L cells after 24 hrs by... | 23477365 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23477365 | 10.1021/jm400159c | Protein-serine O-palmitoleoyltransferase porcupine | 1 |
Data from ChEMBL 36 via Core Engine