Compound Detail
CHEMBL4437382
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Basic Information
| ChEMBL ID | CHEMBL4437382 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNXOUIPEUXEGTL-CQSZACIVSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
2.87
ALogP
5
HBA
1
HBD
87.4
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.8
EC50 1 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelial PAS domain-containing protein 1 CHEMBL1744522 | IC50 | 6.8 | 6.53 | 160.0 | 2 |
| Endothelial PAS domain-containing protein 1 CHEMBL1744522 | EC50 | 6.03 | 6.03 | 930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelial PAS domain-containing protein 1 | IC50 | = | 160.0 | nM | 6.8 | Inhibition of N-(3-Chlorophenyl-4,6-t2)-4-nitrobenzo[c][1,2,5]oxadiazol-5-amine ... | 31282155 |
| Endothelial PAS domain-containing protein 1 | IC50 | = | 550.0 | nM | 6.26 | Scintillation Proximity Assay (SPA): HIF-2a: The total assay volume was about 10... | - |
| Endothelial PAS domain-containing protein 1 | EC50 | = | 930.0 | nM | 6.03 | Inhibition of HIF-2alpha (unknown origin) expressed in human 786-O cells measure... | 31282155 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31282155 | 10.1021/acs.jmedchem.9b00719 | UDP-glucuronosyltransferase 2B17 | 4 |
| 31282155 | 10.1021/acs.jmedchem.9b00719 | Endothelial PAS domain-containing protein 1 | 2 |
Data from ChEMBL 36 via Core Engine