Compound Detail
CHEMBL4171364
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 | CHEMBL4171364 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTRIOCMSHSAPNW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
324.2
MW (Da)
1.67
ALogP
5
HBA
3
HBD
108.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Egl nine homolog 1 CHEMBL5697 | IC50 | 4.82 | 4.82 | 15000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Egl nine homolog 1 | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of HIF-PHD2 (unknown origin) by fluorescence polarization assay | 29712435 |
| Egl nine homolog 1 | IC50 | = | 15000.0 | nM | 4.82 | Inhibitory Effect of the Compounds on PHD2: The interaction between hypoxia-indu... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29712435 | 10.1021/acs.jmedchem.7b01686 | Egl nine homolog 1 | 1 |
Data from ChEMBL 36 via Core Engine