Compound Detail
CHEMBL5186174
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Basic Information
| ChEMBL ID | CHEMBL5186174 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBPRBNRVPWGYDA-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
506.7
MW (Da)
4.87
ALogP
8
HBA
2
HBD
74.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.76
Kd 1 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LSD1/CoREST complex CHEMBL3137262 | Kd | 7.07 | 7.07 | 86.0 | 1 |
| LSD1/CoREST complex CHEMBL3137262 | Ki | 6.76 | 6.76 | 175.0 | 1 |
| Histone-lysine N-methyltransferase EHMT2 CHEMBL6032 | Ki | 5.41 | 5.41 | 3940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LSD1/CoREST complex | Kd | = | 86.0 | nM | 7.07 | Binding affinity to human LSD1/CoREST assessed as dissociation constant by compe... | 35525212 |
| LSD1/CoREST complex | Ki | = | 175.0 | nM | 6.76 | Inhibition of human LSD1/CoREST using histone H3 peptide as substrate by fluores... | 35525212 |
| Histone-lysine N-methyltransferase EHMT2 | Ki | = | 3940.0 | nM | 5.41 | Inhibition of G9a (unknown origin) assessed as reduction in substrate methylatio... | 35525212 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35525212 | 10.1016/j.ejmech.2022.114410 | LSD1/CoREST complex | 2 |
| 35525212 | 10.1016/j.ejmech.2022.114410 | Histone-lysine N-methyltransferase EHMT2 | 1 |
Data from ChEMBL 36 via Core Engine