Compound Detail
CHEMBL5200379
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CCc1cc(Nc2ncc(Br)c(Nc3ccc4nccnc4c3P(C)(C)=O)n2)c(OC)cc1N1CCC(N(C)CCS(C)(=O)=O)CC1
Basic Information
| ChEMBL ID | CHEMBL5200379 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYWMSDFJAFEBDF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
745.7
MW (Da)
5.43
ALogP
12
HBA
2
HBD
142.5
PSA (Ų)
0.18
QED
3
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PC-9 CHEMBL614102 | IC50 | 6.9 | 6.9 | 127.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PC-9 | IC50 | = | 127.0 | nM | 6.9 | Antiproliferative activity against human PC-9 cells harboring EGFR del19/T790M/C... | 35413415 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35413415 | 10.1016/j.bmcl.2022.128729 | Epidermal growth factor receptor | 1 |
| 35413415 | 10.1016/j.bmcl.2022.128729 | BaF3 | 1 |
| 35413415 | 10.1016/j.bmcl.2022.128729 | PC-9 | 1 |
Data from ChEMBL 36 via Core Engine