Compound Detail
CHEMBL4482885
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Basic Information
| ChEMBL ID | CHEMBL4482885 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQSZWOLSFLBCNU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
3.18
ALogP
5
HBA
1
HBD
70.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Egl nine homolog 1 CHEMBL5697 | IC50 | 7.2 | 7.01 | 63.0 | 2 |
| Prolyl hydroxylase EGLN3 CHEMBL5705 | IC50 | 6.66 | 6.66 | 219.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Egl nine homolog 1 | IC50 | = | 63.0 | nM | 7.2 | Inhibition of N-terminal His6-tagged truncated PHD2 (181 to 426 residues) (unkno... | 31057728 |
| Egl nine homolog 1 | IC50 | = | 151.0 | nM | 6.82 | Inhibition of N-terminal His6-tagged truncated PHD2 (181 to 426 residues) (unkno... | 31057728 |
| Prolyl hydroxylase EGLN3 | IC50 | = | 219.0 | nM | 6.66 | Inhibition of PHD3 (unknown origin) using H1F1-alpha CODD as substrate | 31057728 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31057728 | 10.1039/C8MD00548F | Egl nine homolog 1 | 2 |
| 31057728 | 10.1039/C8MD00548F | Prolyl hydroxylase EGLN3 | 1 |
| 31057728 | 10.1039/C8MD00548F | Unchecked | 1 |
| 31057728 | 10.1039/C8MD00548F | Lysine-specific demethylase 4A | 1 |
Data from ChEMBL 36 via Core Engine