Compound Detail
CHEMBL1257063
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COc1ccc(-n2nc(C(=O)NCC(=O)Nc3nc4ccc(OC)cc4s3)c3ccccc3c2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL1257063 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLWIHRXVYJONEJ-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
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
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.24
EC50 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.24 | 7.24 | 58.0 | 2 |
| Protein-serine O-palmitoleoyltransferase porcupine CHEMBL1255163 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| Protein-serine O-palmitoleoyltransferase porcupine CHEMBL1255164 | EC50 | 7.22 | 7.22 | 60.0 | 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/beta-catenin signaling pathway in mouse L Wnt-3A cells harbour... | 33445154 |
| Unchecked | IC50 | = | 58.0 | nM | 7.24 | Inhibition of Wnt/beta-catenin signalling in HEK293 cells assessed as reduction ... | 38621327 |
| Protein-serine O-palmitoleoyltransferase porcupine | EC50 | = | 60.0 | nM | 7.22 | Inhibition of porcupine-mediated Wnt signalling in mouse L cells after 24 hrs by... | 23477365 |
| Protein-serine O-palmitoleoyltransferase porcupine | IC50 | = | 60.0 | nM | 7.22 | Inhibition of porcupine activity (unknown origin) expressed in human HT1080 cell... | 26522946 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19125156 | 10.1038/nchembio.137 | Molecular identity unknown | 4 |
| 19125156 | 10.1038/nchembio.137 | Protein-serine O-palmitoleoyltransferase porcupine | 3 |
| 19125156 | 10.1038/nchembio.137 | Danio rerio | 1 |
| 23477365 | 10.1021/jm400159c | Protein-serine O-palmitoleoyltransferase porcupine | 1 |
| 26522946 | 10.1016/j.bmcl.2015.10.032 | Protein-serine O-palmitoleoyltransferase porcupine | 1 |
| 33445154 | 10.1016/j.ejmech.2020.113149 | Unchecked | 1 |
| 38621327 | 10.1016/j.ejmech.2024.116408 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine