Compound Detail
CHEMBL3668019
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Basic Information
| ChEMBL ID | CHEMBL3668019 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZIQJPGLZXVJCP-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
4.94
ALogP
6
HBA
0
HBD
55.5
PSA (Ų)
0.35
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Activin receptor type-1 CHEMBL5903 | IC50 | 7.57 | 7.57 | 26.7 | 1 |
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 6.0 | 6.0 | 999.0 | 2 |
| 5'-AMP-activated protein kinase subunit beta-1 CHEMBL3847 | IC50 | 5.71 | 5.71 | 1940.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.69 | 5.69 | 2062.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Activin receptor type-1 | IC50 | = | 26.68 | nM | 7.57 | Kinase Assay: Kinase assays were performed using the assay kit by Reaction Biolo... | - |
| TGF-beta receptor type-1 | IC50 | = | 998.99 | nM | 6.0 | Kinase Assay: Kinase assays were performed using the assay kit by Reaction Biolo... | - |
| TGF-beta receptor type-1 | IC50 | = | 998.99 | nM | 6.0 | Kinase Assay: Kinase assays were performed using the assay kit by Reaction Biolo... | - |
| 5'-AMP-activated protein kinase subunit beta-1 | IC50 | = | 1940.0 | nM | 5.71 | Kinase Assay: Kinase assays were performed using the assay kit by Reaction Biolo... | - |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 2062.0 | nM | 5.69 | Kinase Assay: Kinase assays were performed using the assay kit by Reaction Biolo... | - |
Data from ChEMBL 36 via Core Engine