Compound Detail
CHEMBL5517715
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COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCNCc1ccc(OCc2cccc(-c3ccccc3)c2C)c(C)c1
Basic Information
| ChEMBL ID | CHEMBL5517715 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHEDXODWNHMDGM-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
691.2
MW (Da)
9.99
ALogP
7
HBA
2
HBD
77.5
PSA (Ų)
0.10
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.14
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 730.0 | nM | 6.14 | Antiproliferative activity against human U87vIII cells expressing EGFRvIII incub... | 38739112 |
| U-87 MG | IC50 | = | 890.0 | nM | 6.05 | Antiproliferative activity against human U-87 MG cells incubated for 72 hrs by M... | 38739112 |
| U-251 | IC50 | = | 1380.0 | nM | 5.86 | Antiproliferative activity against human U-251 cells incubated for 72 hrs by MTT... | 38739112 |
| Unchecked | IC50 | = | 2250.0 | nM | 5.65 | Antiproliferative activity against human GL261 cells incubated for 72 hrs by MTT... | 38739112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38739112 | 10.1021/acs.jmedchem.4c00128 | Epidermal growth factor receptor | 2 |
| 38739112 | 10.1021/acs.jmedchem.4c00128 | Unchecked | 2 |
| 38739112 | 10.1021/acs.jmedchem.4c00128 | U-87 MG | 1 |
| 38739112 | 10.1021/acs.jmedchem.4c00128 | U-251 | 1 |
Data from ChEMBL 36 via Core Engine