Compound Detail
CHEMBL2088290
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 | CHEMBL2088290 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFASRNMJVSGNGD-QPJJXVBHSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
230.1
MW (Da)
0.71
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.16
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PC-3 | IC50 | = | 7000.0 | nM | 5.16 | Antineoplastic activity against human PC3 cells after 72 hrs by MTT assay | 22677312 |
| PC-3 | IC50 | = | 10000.0 | nM | 5.0 | Antineoplastic activity against human PC3 cells after 48 hrs by MTT assay | 22677312 |
| PC-3 | IC50 | = | 13000.0 | nM | 4.89 | Antineoplastic activity against human PC3 cells after 24 hrs by MTT assay | 22677312 |
| LNCaP | IC50 | = | 25000.0 | nM | 4.6 | Antineoplastic activity against human LNCAP cells after 24 hrs by MTT assay | 22677312 |
| LNCaP | IC50 | = | 28000.0 | nM | 4.55 | Antineoplastic activity against human LNCAP cells after 72 hrs by MTT assay | 22677312 |
| LNCaP | IC50 | = | 29000.0 | nM | 4.54 | Antineoplastic activity against human LNCAP cells after 48 hrs by MTT assay | 22677312 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22677312 | 10.1016/j.bmcl.2012.05.038 | LNCaP | 3 |
| 22677312 | 10.1016/j.bmcl.2012.05.038 | PC-3 | 3 |
Data from ChEMBL 36 via Core Engine