Compound Detail
CHEMBL3666714
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O=S(=O)(NCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL3666714 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVVFGYFCZLTASL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
607.0
MW (Da)
6.94
ALogP
7
HBA
2
HBD
106.3
PSA (Ų)
0.18
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.49 | 7.49 | 32.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 32.4 | nM | 7.49 | In Vitro Kinase Assay: In vitro kinase analysis was performed by using HTScan EG... | - |
| Epidermal growth factor receptor | IC50 | = | 32.4 | nM | 7.49 | In Vitro Kinase Assay: In vitro kinase analysis was performed by using HTScan EG... | - |
Data from ChEMBL 36 via Core Engine