Compound Detail
CHEMBL4758137
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C=C(F)C(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3OC)ncc2Cl)c1
Basic Information
| ChEMBL ID | CHEMBL4758137 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCERJFZOZDMVGG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
541.0
MW (Da)
4.76
ALogP
8
HBA
2
HBD
108.9
PSA (Ų)
0.39
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H1975 CHEMBL614348 | IC50 | 5.15 | 5.15 | 7030.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H1975 | IC50 | = | 7030.0 | nM | 5.15 | Antiproliferation activity against human NCI-H1975 cells expressing EGFR L858R/T... | 32912431 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32912431 | 10.1016/j.bmc.2020.115680 | A-431 | 1 |
| 32912431 | 10.1016/j.bmc.2020.115680 | NCI-H1975 | 1 |
Data from ChEMBL 36 via Core Engine