Compound Detail
CHEMBL2386998
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Basic Information
| ChEMBL ID | CHEMBL2386998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZSLVCXMHPNGNA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
474.9
MW (Da)
5.66
ALogP
6
HBA
3
HBD
114.9
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL2363049 | IC50 | 8.34 | 8.34 | 4.6 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 4.6 | nM | 8.34 | Inhibition of human EGFR extracellular domain/TIE2 intracellular domain transfec... | 23566514 |
| Angiopoietin-1 receptor | IC50 | = | 45.0 | nM | 7.35 | Inhibition of GST-fused TIE2 (unknown origin) using poly[Glu:Tyr] as substrate a... | 23566514 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23566514 | 10.1016/j.bmcl.2013.03.012 | Liver microsomes | 1 |
| 23566514 | 10.1016/j.bmcl.2013.03.012 | Caco-2 | 1 |
| 23566514 | 10.1016/j.bmcl.2013.03.012 | Epidermal growth factor receptor | 1 |
| 23566514 | 10.1016/j.bmcl.2013.03.012 | Angiopoietin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine