Compound Detail
CHEMBL3703952
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Basic Information
| ChEMBL ID | CHEMBL3703952 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBAAKUHERHHMAH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
4
PK Parameters
2
Publications
0
Known Names
Molecular Properties
470.6
MW (Da)
4.34
ALogP
9
HBA
1
HBD
76.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 8.333 | hr | Mus musculus |
| T1/2 | 4.783 | hr | Rattus norvegicus |
| T1/2 | 6.9 | hr | Macaca fascicularis |
| T1/2 | 8.333 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 4.0 | nM | 8.4 | LanthaScreen Assay: The kinase assay is based on the LanthaScreen technology. La... | - |
| Phosphodiesterase 3 | IC50 | = | 30000.0 | nM | 4.52 | Scintillation Proximity Assay (SPA): The kinase assay is based on the LanthaScre... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31385704 | 10.1021/acs.jmedchem.9b00875 | Aldehyde oxidase 1 | 3 |
| 31385704 | 10.1021/acs.jmedchem.9b00875 | Aldehyde oxidase | 1 |
Data from ChEMBL 36 via Core Engine