Compound Detail
CHEMBL3586001
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
CN(C)CCOc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3cc(NC(=O)OC(C)(C)C)c3ccccc43)cc2c1.Cl
Basic Information
| ChEMBL ID | CHEMBL3586001 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALVUIUDYSGPMLV-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3586741 |
| Active Moiety | CHEMBL3586741 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
563.1
MW (Da)
6.59
ALogP
5
HBA
2
HBD
86.9
PSA (Ų)
0.25
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LNCaP CHEMBL612518 | IC50 | 6.66 | 6.66 | 218.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LNCaP | IC50 | = | 218.0 | nM | 6.66 | Cytotoxicity against human LNCAP cells assessed as inhibition of cell proliferat... | 25963825 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25963825 | 10.1016/j.bmc.2015.04.034 | LNCaP | 1 |
Data from ChEMBL 36 via Core Engine