Compound Detail
CHEMBL4129555
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Basic Information
| ChEMBL ID | CHEMBL4129555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCSGHILSJDHCIF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
401.8
MW (Da)
1.76
ALogP
7
HBA
3
HBD
130.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Egl nine homolog 1 CHEMBL5697 | IC50 | 7.28 | 6.42 | 52.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Egl nine homolog 1 | IC50 | = | 52.84 | nM | 7.28 | Inhibition of HIF-PHD2 (181 to 426 residues) (unknown origin) using FITC-HIF1-al... | 29856623 |
| Egl nine homolog 1 | IC50 | = | 2750.0 | nM | 5.56 | Inhibition of HIF-PHD2 (181 to 426 residues) (unknown origin) using HIF1-alpha (... | 29856623 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29856623 | 10.1021/acs.jmedchem.8b00549 | Egl nine homolog 1 | 8 |
| 29856623 | 10.1021/acs.jmedchem.8b00549 | Unchecked | 5 |
| 29856623 | 10.1021/acs.jmedchem.8b00549 | Prolyl hydroxylase EGLN3 | 1 |
| 29856623 | 10.1021/acs.jmedchem.8b00549 | L02 | 1 |
| 29856623 | 10.1021/acs.jmedchem.8b00549 | Hep 3B2 | 1 |
| 29856623 | 10.1021/acs.jmedchem.8b00549 | HEK293 | 1 |
| 29856623 | 10.1021/acs.jmedchem.8b00549 | HUVEC | 1 |
Data from ChEMBL 36 via Core Engine