Compound Detail
CHEMBL2368653
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 | CHEMBL2368653 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPSSHTUVPUXEKZ-QXFUBDJGSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
345.3
MW (Da)
-1.69
ALogP
7
HBA
4
HBD
150.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 791T cell line CHEMBL614254 | IC50 | 5.96 | 5.325 | 1100.0 | 2 |
| T-24 CHEMBL614774 | IC50 | 5.96 | 4.9833 | 1100.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 791T cell line | IC50 | = | 1100.0 | nM | 5.96 | Tested for cytotoxicity against antigen positive 791T osteosarcoma cells of conj... | 8496926 |
| T-24 | IC50 | = | 1100.0 | nM | 5.96 | Tested for cytotoxicity against antigen negative T-24 bladder carcinoma cells of... | 8496926 |
| T-24 | IC50 | = | 16600.0 | nM | 4.78 | Tested for cytotoxicity against antigen negative T-24 bladder carcinoma cells of... | 8496926 |
| 791T cell line | IC50 | = | 20600.0 | nM | 4.69 | Tested for cytotoxicity against antigen positive 791T osteosarcoma cells of conj... | 8496926 |
| T-24 | IC50 | = | 62000.0 | nM | 4.21 | Tested for cytotoxicity against antigen negative T-24 bladder carcinoma cells ha... | 8496926 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8496926 | 10.1021/jm00063a007 | 791T cell line | 6 |
| 8496926 | 10.1021/jm00063a007 | T-24 | 6 |
Data from ChEMBL 36 via Core Engine