Compound Detail
CHEMBL2088287
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 | CHEMBL2088287 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNLILBLOCIJTDN-CNELAYHGSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
306.2
MW (Da)
2.46
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.52
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LNCaP | IC50 | = | 3000.0 | nM | 5.52 | Antineoplastic activity against human LNCAP cells after 72 hrs by MTT assay | 22677312 |
| PC-3 | IC50 | = | 3000.0 | nM | 5.52 | Antineoplastic activity against human PC3 cells after 72 hrs by MTT assay | 22677312 |
| LNCaP | IC50 | = | 6000.0 | nM | 5.22 | Antineoplastic activity against human LNCAP cells after 24 hrs by MTT assay | 22677312 |
| LNCaP | IC50 | = | 6000.0 | nM | 5.22 | Antineoplastic activity against human LNCAP cells after 48 hrs by MTT assay | 22677312 |
| PC-3 | IC50 | = | 6000.0 | nM | 5.22 | Antineoplastic activity against human PC3 cells after 48 hrs by MTT assay | 22677312 |
| PC-3 | IC50 | = | 8000.0 | nM | 5.1 | Antineoplastic activity against human PC3 cells after 24 hrs by MTT assay | 22677312 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22677312 | 10.1016/j.bmcl.2012.05.038 | LNCaP | 10 |
| 22677312 | 10.1016/j.bmcl.2012.05.038 | PC-3 | 3 |
| 22677312 | 10.1016/j.bmcl.2012.05.038 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine