Compound Detail
CHEMBL1689183
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Basic Information
| ChEMBL ID | CHEMBL1689183 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYJWLIYDNZREPC-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
372.5
MW (Da)
4.89
ALogP
5
HBA
2
HBD
87.7
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.89
EC50 1 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha CHEMBL2221345 | IC50 | 5.89 | 5.775 | 1280.0 | 2 |
| T47D CHEMBL614361 | IC50 | 5.88 | 5.88 | 1320.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 5.64 | 5.64 | 2270.0 | 1 |
| dengue virus type 2 CHEMBL613966 | EC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | IC50 | = | 1280.0 | nM | 5.89 | Inhibition of 1,10-phenanthrolin-induced HIF1 activation in human T47D cells exp... | 21214226 |
| T47D | IC50 | = | 1320.0 | nM | 5.88 | Antiproliferative activity against human T47D cells after 48 hrs | 21214226 |
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of hypoxia-induced HIF1 activation in human T47D cells expressing pGL... | 21214226 |
| PC-3 | IC50 | = | 2270.0 | nM | 5.64 | Antiproliferative activity against human PC3 cells after 48 hrs | 21214226 |
| dengue virus type 2 | EC50 | = | 2600.0 | nM | 5.58 | Antiviral activity against DENV2 | 31128447 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21214226 | 10.1021/np100762s | T47D | 7 |
| 21214226 | 10.1021/np100762s | Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | 2 |
| 21214226 | 10.1021/np100762s | PC-3 | 1 |
| 31128447 | 10.1016/j.ejmech.2019.05.010 | dengue virus type 2 | 1 |
| 35816877 | 10.1016/j.ejmech.2022.114576 | dengue virus type 2 | 1 |
| 35816877 | 10.1016/j.ejmech.2022.114576 | Vero | 1 |
| 35816877 | 10.1016/j.ejmech.2022.114576 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine