Compound Detail
CHEMBL5285949
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CN(C)C/C=C/C(=O)Nc1cccc(CN(C)CCc2cnn(-c3nccc4c(=O)[nH]cnc34)c2)c1
Basic Information
| ChEMBL ID | CHEMBL5285949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQJJDKDPHAZPEX-VMPITWQZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
486.6
MW (Da)
2.23
ALogP
8
HBA
2
HBD
112.0
PSA (Ų)
0.33
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 5B CHEMBL3774295 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 5B | IC50 | = | 4.0 | nM | 8.4 | Inhibition of KDM5B (unknown origin) | 32883639 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32883639 | 10.1016/j.ejmech.2020.112760 | Lysine-specific demethylase 5B | 1 |
Data from ChEMBL 36 via Core Engine