Compound Detail
CHEMBL4535543
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
COc1ccnc(N2C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)n1
Basic Information
| ChEMBL ID | CHEMBL4535543 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBLICMMECZDKIL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
534.6
MW (Da)
4.86
ALogP
7
HBA
0
HBD
91.8
PSA (Ų)
0.33
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Egl nine homolog 1 CHEMBL5697 | IC50 | 7.26 | 6.9 | 55.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.67 | 4.67 | 21600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Egl nine homolog 1 | IC50 | = | 55.0 | nM | 7.26 | Inhibition of N-terminal His6-tagged truncated PHD2 (181 to 426 residues) (unkno... | 31057728 |
| Egl nine homolog 1 | IC50 | = | 289.0 | nM | 6.54 | Inhibition of N-terminal His6-tagged truncated PHD2 (181 to 426 residues) (unkno... | 31057728 |
| Unchecked | IC50 | = | 21600.0 | nM | 4.67 | Inhibition of FIH (unknown origin) using HIF-1alpha CAD (D788 to L822 residues) ... | 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