Compound Detail
CHEMBL2323954
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Basic Information
| ChEMBL ID | CHEMBL2323954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYVKBUFAAYLDLV-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
3.74
ALogP
4
HBA
2
HBD
59.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 6.14 | 6.14 | 730.0 | 1 |
| HeLa CHEMBL399 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Hypoxia-inducible factor 1-alpha CHEMBL4261 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 730.0 | nM | 6.14 | Cytotoxicity against human HCT116 cells after 72 hrs by MTT assay | 24900662 |
| HeLa | IC50 | = | 1800.0 | nM | 5.75 | Cytotoxicity against human HeLa cells after 72 hrs by MTT assay | 24900662 |
| Hypoxia-inducible factor 1-alpha | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of hypoxia-induced HIF1alpha transcriptional activity in human HeLa c... | 24900662 |
| HepG2 | IC50 | = | 3800.0 | nM | 5.42 | 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 |
Data from ChEMBL 36 via Core Engine