Compound Detail
CHEMBL4536280
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C1N(c2ccc(-c3ccccc3)cc2)C(=O)C2(CCN(Cc3ccccc3O)CC2)N1c1ncccn1
Basic Information
| ChEMBL ID | CHEMBL4536280 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQIZYRSPMUEGBN-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
505.6
MW (Da)
4.86
ALogP
6
HBA
1
HBD
89.9
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Egl nine homolog 1 CHEMBL5697 | IC50 | 7.31 | 7.075 | 49.0 | 2 |
| Lysine-specific demethylase 4A CHEMBL5896 | IC50 | 4.91 | 4.91 | 12350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Egl nine homolog 1 | IC50 | = | 49.0 | nM | 7.31 | Inhibition of N-terminal His6-tagged truncated PHD2 (181 to 426 residues) (unkno... | 31057728 |
| Egl nine homolog 1 | IC50 | = | 143.0 | nM | 6.84 | Inhibition of N-terminal His6-tagged truncated PHD2 (181 to 426 residues) (unkno... | 31057728 |
| Lysine-specific demethylase 4A | IC50 | = | 12350.0 | nM | 4.91 | Inhibition of KDM4A (unknown origin) using H3 K9Me3 (1 to 15 residues) as substr... | 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