Compound Detail
CHEMBL4860578
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Basic Information
| ChEMBL ID | CHEMBL4860578 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDOGUAMAYSSYLX-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
415.6
MW (Da)
3.28
ALogP
7
HBA
1
HBD
80.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.8
Kd 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleosome-remodeling factor subunit BPTF CHEMBL3085621 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Nucleosome-remodeling factor subunit BPTF CHEMBL3085621 | Kd | 4.3 | 4.3 | 49600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleosome-remodeling factor subunit BPTF | IC50 | = | 16.0 | nM | 7.8 | Inhibition of N-terminal GST-tagged human BPTF (2914 to 3037 residues) expressed... | 34375106 |
| Nucleosome-remodeling factor subunit BPTF | Kd | = | 49600.0 | nM | 4.3 | Binding affinity to N-terminal GST-tagged human BPTF (2914 to 3037 residues) exp... | 34375106 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34375106 | 10.1021/acs.jmedchem.1c00721 | Nucleosome-remodeling factor subunit BPTF | 6 |
Data from ChEMBL 36 via Core Engine