Compound Detail
CHEMBL2387000
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Cc1ccc(F)c(NC(=O)Nc2cccc(C(=O)c3cn(C4CCCC4)c4ncnc(N)c34)c2)c1
Basic Information
| ChEMBL ID | CHEMBL2387000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FOOPCYOJMREECW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
472.5
MW (Da)
5.45
ALogP
6
HBA
3
HBD
114.9
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL2363049 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.89 | nM | 9.05 | Inhibition of human EGFR extracellular domain/TIE2 intracellular domain transfec... | 23566514 |
| Angiopoietin-1 receptor | IC50 | = | 12.0 | nM | 7.92 | 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