Compound Detail
CHEMBL5618514
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COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(C(=O)NCCOCCNC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)N1C(=O)CCl
Basic Information
| ChEMBL ID | CHEMBL5618514 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFFVKJCECSUZRE-RZFKQEPKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
689.2
MW (Da)
4.89
ALogP
6
HBA
3
HBD
129.8
PSA (Ų)
0.14
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-1080 CHEMBL614580 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-1080 | IC50 | = | 120.0 | nM | 6.92 | Antiproliferative activity against human HT-1080 cells assessed as inhibition of... | 39094276 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39094276 | 10.1016/j.ejmech.2024.116719 | HT-1080 | 1 |
Data from ChEMBL 36 via Core Engine