Compound Detail
CHEMBL4126434
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Basic Information
| ChEMBL ID | CHEMBL4126434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RODNKCMKPZCZKG-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
15
PK Parameters
11
Publications
0
Known Names
Molecular Properties
415.8
MW (Da)
2.15
ALogP
7
HBA
3
HBD
130.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Egl nine homolog 1 CHEMBL5697 | IC50 | 7.64 | 6.91 | 22.7 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 4988334000.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 5438819000.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 922739000.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 933080000.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 31.18 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 19.4 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 3729.8 | nM | Rattus norvegicus |
| F | 54.06 | % | Rattus norvegicus |
| MRT | 3.277 | hr | Rattus norvegicus |
| MRT | 0.623 | hr | Rattus norvegicus |
| T1/2 | 3.069 | hr | Rattus norvegicus |
| T1/2 | 1.506 | hr | Rattus norvegicus |
| Tmax | 0.917 | hr | Rattus norvegicus |
| Vd | 8.634 | L.kg-1 | Rattus norvegicus |
| Vd | 2.312 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Egl nine homolog 1 | IC50 | = | 22.73 | nM | 7.64 | Binding affinity to full length PHD2 (181 to 426 residues) (unknown origin) by f... | 37367818 |
| Egl nine homolog 1 | IC50 | = | 62.23 | nM | 7.21 | Inhibition of HIF-PHD2 (181 to 426 residues) (unknown origin) using FITC-HIF1-al... | 29856623 |
| Egl nine homolog 1 | IC50 | = | 1310.0 | nM | 5.88 | 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 | Mus musculus | 22 |
| 29856623 | 10.1021/acs.jmedchem.8b00549 | Rattus norvegicus | 15 |
| 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 | No relevant target | 4 |
| 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 |
| 37367818 | 10.1021/acs.jmedchem.3c00231 | Egl nine homolog 1 | 1 |
Data from ChEMBL 36 via Core Engine