Compound Detail
CHEMBL296455
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Basic Information
| ChEMBL ID | CHEMBL296455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UAKWLVYMKBWHMX-RVDMUPIBSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
264.3
MW (Da)
3.25
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.1
Kd 1 meas. best 4.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL3337 | IC50 | 6.1 | 6.1 | 794.3 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 5.43 | 5.43 | 3750.0 | 2 |
| Beta-lactamase CHEMBL2026 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Ephrin type-B receptor 2 CHEMBL3290 | Kd | 4.71 | 4.71 | 19500.0 | 1 |
| Ephrin type-B receptor 2 CHEMBL3290 | IC50 | 4.56 | 4.56 | 27500.0 | 1 |
| Chymotrypsin-C CHEMBL2386 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 794.33 | nM | 6.1 | Inhibitory activity against vascular endothelial growth factor receptor 2 (FLK1) | 10956210 |
| Platelet-derived growth factor receptor beta | IC50 | = | 3750.0 | nM | 5.43 | Inhibition Assay: Inhibition of various kinase enzyme. | - |
| Platelet-derived growth factor receptor beta | IC50 | = | 3750.0 | nM | 5.43 | Kinase Inhibition Assay: Table 9: Compounds 1 and 2, Section D., (see FIG. 4, bo... | - |
| Beta-lactamase | IC50 | = | 10000.0 | nM | 5.0 | Inhibitory activity against beta-lactamase | 11931626 |
| Ephrin type-B receptor 2 | Kd | = | 19500.0 | nM | 4.71 | Equilibrium binding constant for EPH receptor B2 | 15857128 |
| Ephrin type-B receptor 2 | IC50 | = | 27500.0 | nM | 4.56 | Inhibition of EPH receptor B2 using ELISA | 15857128 |
| Chymotrypsin-C | IC50 | = | 30000.0 | nM | 4.52 | Inhibitory activity against chymotrypsinogen | 11931626 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11931626 | 10.1021/jm010533y | Beta-lactamase | 3 |
| 15857128 | 10.1021/jm0492204 | Ephrin type-B receptor 2 | 2 |
| 21803586 | 10.1016/j.bmc.2011.07.016 | Microtubule-associated protein tau | 2 |
| 10956210 | 10.1021/jm990609e | Vascular endothelial growth factor receptor 2 | 1 |
| 11931626 | 10.1021/jm010533y | Chymotrypsin-C | 1 |
| 11931626 | 10.1021/jm010533y | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine