Compound Detail
CHEMBL2323953
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 | CHEMBL2323953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGVUDXPSQQHMDW-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
277.3
MW (Da)
3.73
ALogP
3
HBA
2
HBD
49.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| HeLa CHEMBL399 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| Hypoxia-inducible factor 1-alpha CHEMBL4261 | IC50 | 5.21 | 5.21 | 6100.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.17 | 5.17 | 6800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 2200.0 | nM | 5.66 | Cytotoxicity against human HCT116 cells after 72 hrs by MTT assay | 24900662 |
| HeLa | IC50 | = | 2900.0 | nM | 5.54 | Cytotoxicity against human HeLa cells after 72 hrs by MTT assay | 24900662 |
| Hypoxia-inducible factor 1-alpha | IC50 | = | 6100.0 | nM | 5.21 | Inhibition of hypoxia-induced HIF1alpha transcriptional activity in human HeLa c... | 24900662 |
| HepG2 | IC50 | = | 6800.0 | nM | 5.17 | Cytotoxicity against human HepG2 cells after 72 hrs by MTT assay | 24900662 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900662 | 10.1021/ml3004632 | HeLa | 1 |
| 24900662 | 10.1021/ml3004632 | PC-3 | 1 |
| 24900662 | 10.1021/ml3004632 | HepG2 | 1 |
| 24900662 | 10.1021/ml3004632 | HCT-116 | 1 |
| 24900662 | 10.1021/ml3004632 | Hypoxia-inducible factor 1-alpha | 1 |
| 25938266 | 10.1021/acs.jmedchem.5b00035 | HCT-116 | 1 |
| 25938266 | 10.1021/acs.jmedchem.5b00035 | PC-3 | 1 |
| 25938266 | 10.1021/acs.jmedchem.5b00035 | HeLa | 1 |
| 25938266 | 10.1021/acs.jmedchem.5b00035 | HEK293 | 1 |
| 25938266 | 10.1021/acs.jmedchem.5b00035 | Tubulin | 1 |
Data from ChEMBL 36 via Core Engine