Compound Detail
CHEMBL5090466
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c1cc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(OCCCCN3CCCCCC3)cc2)ccc1OCCCCN1CCCCCC1
Basic Information
| ChEMBL ID | CHEMBL5090466 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIOMZYHWRSISIN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
639.0
MW (Da)
10.01
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.19
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 1600.0 | nM | 5.8 | Antiproliferative activity against human MCF7 cells measured by WST-1 assay | - |
Data from ChEMBL 36 via Core Engine