Compound Detail
CHEMBL2385590
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Basic Information
| ChEMBL ID | CHEMBL2385590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLXBZZLKNLKRKJ-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
3.47
ALogP
5
HBA
1
HBD
45.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Activin receptor type-1 CHEMBL5903 | IC50 | 7.39 | 7.39 | 40.7 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.67 | 6.67 | 214.7 | 1 |
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 6.25 | 6.25 | 565.0 | 2 |
| 5'-AMP-activated protein kinase subunit beta-1 CHEMBL3847 | IC50 | 5.95 | 5.95 | 1122.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Activin receptor type-1 | IC50 | = | 40.72 | nM | 7.39 | Kinase Assay: Kinase assays were performed using the assay kit by Reaction Biolo... | - |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 214.7 | nM | 6.67 | Kinase Assay: Kinase assays were performed using the assay kit by Reaction Biolo... | - |
| TGF-beta receptor type-1 | IC50 | = | 565.0 | nM | 6.25 | Kinase Assay: Kinase assays were performed using the assay kit by Reaction Biolo... | - |
| TGF-beta receptor type-1 | IC50 | = | 565.0 | nM | 6.25 | Kinase Assay: Kinase assays were performed using the assay kit by Reaction Biolo... | - |
| 5'-AMP-activated protein kinase subunit beta-1 | IC50 | = | 1122.0 | nM | 5.95 | Kinase Assay: Kinase assays were performed using the assay kit by Reaction Biolo... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23639540 | 10.1016/j.bmcl.2013.03.113 | Bone morphogenetic protein 4 | 1 |
Data from ChEMBL 36 via Core Engine