Compound Detail
CHEMBL2323957
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Basic Information
| ChEMBL ID | CHEMBL2323957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAVLSHIVDAAQRY-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
3.50
ALogP
5
HBA
2
HBD
68.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hypoxia-inducible factor 1-alpha CHEMBL4261 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| HeLa CHEMBL399 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 5.16 | 5.16 | 6900.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hypoxia-inducible factor 1-alpha | IC50 | = | 34.0 | nM | 7.47 | Inhibition of hypoxia-induced HIF1alpha transcriptional activity in human HeLa c... | 24900662 |
| HeLa | IC50 | = | 2100.0 | nM | 5.68 | Cytotoxicity against human HeLa cells after 72 hrs by MTT assay | 24900662 |
| HCT-116 | IC50 | = | 5900.0 | nM | 5.23 | Cytotoxicity against human HCT116 cells after 72 hrs by MTT assay | 24900662 |
| PC-3 | IC50 | = | 6900.0 | nM | 5.16 | Cytotoxicity against human PC3 cells after 72 hrs by MTT assay | 24900662 |
| HepG2 | IC50 | = | 7000.0 | nM | 5.16 | 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