Compound Detail
CHEMBL5077478
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[N+]1(CCCCOc2ccc(C(=C3C4CC5CC(C4)CC3C5)c3ccc(OCCCC[N+]4(C)CCCCCC4)cc3)cc2)CCCCCC1.[I-].[I-]
Basic Information
| ChEMBL ID | CHEMBL5077478 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGPHGSCHMWIXHR-UHFFFAOYSA-L |
| Parent Compound | CHEMBL5095572 |
| Active Moiety | CHEMBL5095572 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
669.0
MW (Da)
10.30
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.15
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-231 CHEMBL400 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-231 | IC50 | = | 900.0 | nM | 6.05 | Antiproliferative activity against human MDA-MB-231 cells measured by WST-1 assa... | - |
| Unchecked | IC50 | = | 1500.0 | nM | 5.82 | Antiproliferative activity against human DT-22 cells measured by WST-1 assay | - |
| MCF7 | IC50 | = | 1700.0 | nM | 5.77 | Antiproliferative activity against human MCF7 cells measured by WST-1 assay | - |
Data from ChEMBL 36 via Core Engine