Compound Detail
CHEMBL3623895
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Basic Information
| ChEMBL ID | CHEMBL3623895 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABECVUABIRGFJZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
4
PK Parameters
10
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
4.32
ALogP
6
HBA
1
HBD
89.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein-serine O-palmitoleoyltransferase porcupine CHEMBL1255163 | IC50 | 9.96 | 9.96 | 0.1 | 1 |
| Unchecked CHEMBL612545 | IC50 | 9.96 | 9.96 | 0.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 43.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 321.0 | mL.min-1.kg-1 | Mus musculus |
| T1/2 | 0.6833 | hr | Homo sapiens |
| T1/2 | 0.3167 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein-serine O-palmitoleoyltransferase porcupine | IC50 | = | 0.11 | nM | 9.96 | Inhibition of porcupine (unknown origin) expressed in mouse L Wnt3A cells co-cul... | 26455655 |
| Unchecked | IC50 | = | 0.11 | nM | 9.96 | Inhibition of Wnt pathway (unknown origin) | 33822624 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26455655 | 10.1016/j.bmc.2015.09.048 | No relevant target | 3 |
| 26455655 | 10.1016/j.bmc.2015.09.048 | Protein-serine O-palmitoleoyltransferase porcupine | 3 |
| 26455655 | 10.1016/j.bmc.2015.09.048 | Plasma | 3 |
| 26455655 | 10.1016/j.bmc.2015.09.048 | Liver microsome | 2 |
| 26455655 | 10.1016/j.bmc.2015.09.048 | Liver | 2 |
| 26455655 | 10.1016/j.bmc.2015.09.048 | Cytochrome P450 3A4 | 1 |
| 26455655 | 10.1016/j.bmc.2015.09.048 | Cytochrome P450 2D6 | 1 |
| 26455655 | 10.1016/j.bmc.2015.09.048 | ADMET | 1 |
| 33822624 | 10.1021/acs.jmedchem.0c01799 | Unchecked | 1 |
| 33822624 | 10.1021/acs.jmedchem.0c01799 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine