Compound Detail
CHEMBL3759008
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Basic Information
| ChEMBL ID | CHEMBL3759008 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LESYZLGMOGDETQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
13
PK Parameters
8
Publications
0
Known Names
Molecular Properties
391.5
MW (Da)
5.87
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
| Molecular identity unknown CHEMBL612546 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 7442.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 11293.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 41.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 67.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 22.4 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 4981.22 | nM | Rattus norvegicus |
| Cmax | 7356.89 | nM | Rattus norvegicus |
| F | 30.0 | % | Rattus norvegicus |
| T1/2 | 0.7167 | hr | Homo sapiens |
| T1/2 | 1.517 | hr | Mus musculus |
| T1/2 | 2.5 | hr | Rattus norvegicus |
| T1/2 | 3.1 | hr | Rattus norvegicus |
| Tmax | 1.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Molecular identity unknown | IC50 | = | 2.3 | nM | 8.64 | Inhibition of Wnt signaling (unknown origin) expressed in mouse L Wnt3A cells co... | 26647303 |
| Unchecked | IC50 | = | 2.3 | nM | 8.64 | Inhibition of Wnt pathway (unknown origin) | 33822624 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26647303 | 10.1016/j.ejmech.2015.11.026 | Rattus norvegicus | 10 |
| 26647303 | 10.1016/j.ejmech.2015.11.026 | ADMET | 4 |
| 26647303 | 10.1016/j.ejmech.2015.11.026 | No relevant target | 2 |
| 26647303 | 10.1016/j.ejmech.2015.11.026 | Liver microsome | 2 |
| 26647303 | 10.1016/j.ejmech.2015.11.026 | Protein-serine O-palmitoleoyltransferase porcupine | 1 |
| 26647303 | 10.1016/j.ejmech.2015.11.026 | Molecular identity unknown | 1 |
| 26647303 | 10.1016/j.ejmech.2015.11.026 | Plasma | 1 |
| 33822624 | 10.1021/acs.jmedchem.0c01799 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine