Compound Detail
CHEMBL4540197
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Basic Information
| ChEMBL ID | CHEMBL4540197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIUFLMSAFMXEEC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
440.6
MW (Da)
4.10
ALogP
9
HBA
1
HBD
94.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein-serine O-palmitoleoyltransferase porcupine CHEMBL1255163 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Protein-serine O-palmitoleoyltransferase porcupine CHEMBL1255164 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein-serine O-palmitoleoyltransferase porcupine | IC50 | = | 8.0 | nM | 8.1 | Displacement of [3H]-GNF-1331 from human PORCN after 3 hrs by scintillation coun... | 27437076 |
| Protein-serine O-palmitoleoyltransferase porcupine | IC50 | = | 12.0 | nM | 7.92 | Inhibition of PORCN in mouse Leydig cells overexpressing Wnt3A co-cultured with ... | 27437076 |
| Unchecked | IC50 | = | 12.0 | nM | 7.92 | Inhibition of Wnt pathway (unknown origin) | 33822624 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27437076 | 10.1021/acsmedchemlett.6b00038 | ADMET | 2 |
| 27437076 | 10.1021/acsmedchemlett.6b00038 | Protein-serine O-palmitoleoyltransferase porcupine | 2 |
| 33822624 | 10.1021/acs.jmedchem.0c01799 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine