Compound Detail
CHEMBL5438496
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Basic Information
| ChEMBL ID | CHEMBL5438496 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTLUETUADGHMMX-UHFFFAOYSA-N |
| Parent Compound | CHEMBL5500089 |
| Active Moiety | CHEMBL5500089 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
446.5
MW (Da)
-1.17
ALogP
10
HBA
8
HBD
163.2
PSA (Ų)
0.15
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase, H3 lysine-36 specific CHEMBL3588738 | Kd | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase, H3 lysine-36 specific | Kd | = | 1200.0 | nM | 5.92 | Binding affinity to NSD1 (unknown origin) assessed as dissociation constant by I... | 37578463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37578463 | 10.1021/acs.jmedchem.3c00948 | Histone-lysine N-methyltransferase, H3 lysine-36 specific | 1 |
Data from ChEMBL 36 via Core Engine