Compound Detail
CHEMBL4278129
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COc1ccc(C(=O)N[C@@H]2C(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@H]2c2ccc(OC)c(O)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL4278129 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJBGVEAAYGTRQK-ZEQRLZLVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
508.5
MW (Da)
3.32
ALogP
8
HBA
2
HBD
115.8
PSA (Ų)
0.42
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SW48 CHEMBL614055 | IC50 | 6.96 | 6.96 | 108.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SW48 | IC50 | = | 108.4 | nM | 6.96 | Antiproliferative activity against human SW48 cells after 72 hrs by MTT assay | 30108973 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108973 | 10.1039/C8MD00147B | SW48 | 1 |
Data from ChEMBL 36 via Core Engine