Compound Detail
CHEMBL4287157
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 | CHEMBL4287157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNXCKLKYBVDKAH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
480.4
MW (Da)
3.36
ALogP
5
HBA
1
HBD
61.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PC-3 CHEMBL390 | IC50 | 4.64 | 4.64 | 22800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PC-3 | IC50 | = | 22800.0 | nM | 4.64 | Antiproliferative activity against human PC3 cells after 72 hrs by MTT assay | 30151089 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30151089 | 10.1039/C8MD00197A | RAC-alpha serine/threonine-protein kinase | 1 |
| 30151089 | 10.1039/C8MD00197A | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine