Compound Detail
CHEMBL4096236
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
Basic Information
| ChEMBL ID | CHEMBL4096236 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRNRHSZDXOBMRL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
2.55
ALogP
7
HBA
0
HBD
65.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LNCaP CHEMBL612518 | EC50 | 4.33 | 4.33 | 46500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LNCaP | EC50 | = | 46500.0 | nM | 4.33 | Cytotoxicity against human LNCAP cells after 24 hrs by MTT assay | 28363155 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28363155 | 10.1016/j.ejmech.2017.03.036 | LNCaP | 1 |
Data from ChEMBL 36 via Core Engine