Compound Detail
CHEMBL2113186
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COCCOc1cc2ncnc(NC3=CC(=O)C(Oc4ccc(-n5ccnc5)cc4)=CC3=O)c2cc1OC
Basic Information
| ChEMBL ID | CHEMBL2113186 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHIMBGCTNOYREA-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
513.5
MW (Da)
3.26
ALogP
11
HBA
1
HBD
126.7
PSA (Ų)
0.25
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.24 | 7.6233 | 5.8 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.02 | hr | - |
| T1/2 | 0.02 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 5.8 | nM | 8.24 | Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 1 m... | 16302797 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 7.6 | nM | 8.12 | Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 ... | 16302797 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 310.0 | nM | 6.51 | Inhibitory activity against VEGF stimulated autophosphorylation of VEGFR2 expres... | 16302797 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16302797 | 10.1021/jm050559f | Vascular endothelial growth factor receptor 2 | 5 |
| 16302797 | 10.1021/jm050559f | ADMET | 2 |
Data from ChEMBL 36 via Core Engine