Compound Detail
CHEMBL3604936
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Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Oc3ccc(NC(=O)/C=C/C(F)(F)F)cc3)n2)n[nH]1
Basic Information
| ChEMBL ID | CHEMBL3604936 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNBIJOCUCVAGRN-BQYQJAHWSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
502.5
MW (Da)
3.85
ALogP
8
HBA
3
HBD
111.3
PSA (Ų)
0.42
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.82 | 5.7333 | 1500.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of EGFR L858R/T790M mutant (unknown origin) expressed in Sf9 cells pr... | 26275028 |
| Epidermal growth factor receptor | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubat... | 26275028 |
| Epidermal growth factor receptor | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of EGFR L858R mutant (unknown origin) expressed in Sf9 cells pre-incu... | 26275028 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26275028 | 10.1021/acs.jmedchem.5b01082 | Epidermal growth factor receptor | 3 |
Data from ChEMBL 36 via Core Engine