Compound Detail
CHEMBL4514222
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COc1cccc(CN2CCC3(CC2)C(=O)N(c2ccc(-c4ccccc4)cc2)C(=O)N3c2ncccn2)n1
Basic Information
| ChEMBL ID | CHEMBL4514222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGMVXZQIEOSRAU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
520.6
MW (Da)
4.56
ALogP
7
HBA
0
HBD
91.8
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Egl nine homolog 1 CHEMBL5697 | IC50 | 6.04 | 5.98 | 905.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Egl nine homolog 1 | IC50 | = | 905.0 | nM | 6.04 | Inhibition of N-terminal His6-tagged truncated PHD2 (181 to 426 residues) (unkno... | 31057728 |
| Egl nine homolog 1 | IC50 | = | 1210.0 | nM | 5.92 | Inhibition of N-terminal His6-tagged truncated PHD2 (181 to 426 residues) (unkno... | 31057728 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31057728 | 10.1039/C8MD00548F | Egl nine homolog 1 | 2 |
| 31057728 | 10.1039/C8MD00548F | Unchecked | 1 |
| 31057728 | 10.1039/C8MD00548F | Lysine-specific demethylase 4A | 1 |
Data from ChEMBL 36 via Core Engine