Compound Detail
CHEMBL3956925
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C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(NC4CN(C(C)=O)C4)cc3OC)ncc2C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL3956925 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNIFAULXFNJRKN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
541.5
MW (Da)
4.76
ALogP
8
HBA
4
HBD
120.5
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL2363049 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 5.0 | nM | 8.3 | Omnia Assay: Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T7... | - |
Data from ChEMBL 36 via Core Engine