Compound Detail
CHEMBL4639539
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COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(-n2cccc2CN2CCN(C)CC2)nc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4639539 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXHBDBQLFLEDPO-FLWNBWAVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
548.6
MW (Da)
4.34
ALogP
8
HBA
2
HBD
91.7
PSA (Ų)
0.26
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 6.94 | 6.94 | 114.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.23 | 6.23 | 584.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta | IC50 | = | 114.0 | nM | 6.94 | Inhibition of N-terminal GST-fused human PDGFRbeta cytoplasmic domain (557 to 11... | 32305182 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 584.0 | nM | 6.23 | Inhibition of N-terminal GST fused human VEGFR2 cytoplasmic domain (790 to 1356 ... | 32305182 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32305182 | 10.1016/j.bmc.2020.115486 | Vascular endothelial growth factor receptor 2 | 1 |
| 32305182 | 10.1016/j.bmc.2020.115486 | Platelet-derived growth factor receptor beta | 1 |
Data from ChEMBL 36 via Core Engine