Compound Detail
CHEMBL5086654
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c1cc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(OCCCCCCN3CCC3)cc2)ccc1OCCCCCCN1CCC1
Basic Information
| ChEMBL ID | CHEMBL5086654 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMQKSDIHWTWKTG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
610.9
MW (Da)
9.23
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.16
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 800.0 | nM | 6.1 | Antiproliferative activity against human MCF7 cells measured by WST-1 assay | - |
Data from ChEMBL 36 via Core Engine