Compound Detail
CHEMBL4127340
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O=C(O)CNC(=O)c1ncc(-c2cn(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)nn2)cc1O
Basic Information
| ChEMBL ID | CHEMBL4127340 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFOWHCRSIXBYGQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
498.3
MW (Da)
3.80
ALogP
7
HBA
3
HBD
130.2
PSA (Ų)
0.35
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Egl nine homolog 1 CHEMBL5697 | IC50 | 6.1 | 6.1 | 801.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Egl nine homolog 1 | IC50 | = | 801.4 | nM | 6.1 | Inhibition of HIF-PHD2 (181 to 426 residues) (unknown origin) using FITC-HIF1-al... | 29856623 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29856623 | 10.1021/acs.jmedchem.8b00549 | Egl nine homolog 1 | 1 |
Data from ChEMBL 36 via Core Engine