Compound Detail
CHEMBL3115283
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CC(C)(C)c1ccc(Cn2c(-c3c(Cl)cccc3Cl)nc(O)c(C(=O)NCC(=O)O)c2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL3115283 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPDUTTZPMJDPDW-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
504.4
MW (Da)
4.08
ALogP
6
HBA
3
HBD
121.5
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.4
IC50 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl hydroxylase EGLN3 CHEMBL5705 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
| Prolyl hydroxylase EGLN3 CHEMBL5705 | EC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl hydroxylase EGLN3 | IC50 | = | 0.8 | nM | 9.1 | Inhibition of 6His-tagged PHD3 (1 to 239) (unknown origin)-mediated Cy5CODD hydr... | 23977883 |
| Prolyl hydroxylase EGLN3 | EC50 | = | 400.0 | nM | 6.4 | Inhibition of PHD3 in human Hep3B cells assessed as stimulation of EPO release a... | 23977883 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23977883 | 10.1021/jm400386j | Prolyl hydroxylase EGLN3 | 2 |
Data from ChEMBL 36 via Core Engine