Compound Detail
CHEMBL3651296
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Basic Information
| ChEMBL ID | CHEMBL3651296 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCDVMWSJHOBWBM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
452.6
MW (Da)
7.32
ALogP
5
HBA
1
HBD
59.9
PSA (Ų)
0.32
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Yes CHEMBL2073 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 8.23 | 8.23 | 5.9 | 1 |
| Ephrin type-B receptor 4 CHEMBL5147 | IC50 | 7.31 | 7.31 | 49.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Yes | IC50 | = | 1.2 | nM | 8.92 | Luciferase-Based Assay: Recombinant human c-Src or Yes (28 ng/well, Panvera/Invi... | - |
| Platelet-derived growth factor receptor beta | IC50 | = | 5.9 | nM | 8.23 | Luciferase-Based Assay: Recombinant human c-Src or Yes (28 ng/well, Panvera/Invi... | - |
| Ephrin type-B receptor 4 | IC50 | = | 49.0 | nM | 7.31 | Luciferase-Based Assay: Recombinant human c-Src or Yes (28 ng/well, Panvera/Invi... | - |
Data from ChEMBL 36 via Core Engine