Compound Detail
CHEMBL5209118
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O=C(O)C=Cc1ccc(-c2ccc(OCCCC(=O)NO)c(C34CC5CC(CC(C5)C3)C4)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL5209118 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYZMUEFUTYZNQW-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
475.6
MW (Da)
5.58
ALogP
4
HBA
3
HBD
95.9
PSA (Ų)
0.19
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.77
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H460 | IC50 | = | 1700.0 | nM | 5.77 | Antiproliferative activity against human NCI-H460 cells incubated for 24 hrs fol... | 34772529 |
| Unchecked | IC50 | = | 3900.0 | nM | 5.41 | Antiproliferative activity against multi-drug resistant human A2780-DX cells inc... | 34772529 |
| A2780 | IC50 | = | 4200.0 | nM | 5.38 | Antiproliferative activity against human A2780 cells incubated for 24 hrs follow... | 34772529 |
| Unchecked | IC50 | = | 8300.0 | nM | 5.08 | Antiproliferative activity against human H460-R9A cells incubated for 24 hrs fol... | 34772529 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34772529 | 10.1016/j.ejmech.2021.113971 | Unchecked | 4 |
| 34772529 | 10.1016/j.ejmech.2021.113971 | NCI-H460 | 1 |
| 34772529 | 10.1016/j.ejmech.2021.113971 | A2780 | 1 |
Data from ChEMBL 36 via Core Engine