Compound Detail
CHEMBL4861375
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Basic Information
| ChEMBL ID | CHEMBL4861375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTONKOFFKFVXAW-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
2.07
ALogP
5
HBA
2
HBD
87.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.16
Kd 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleosome-remodeling factor subunit BPTF CHEMBL3085621 | IC50 | 6.16 | 6.16 | 698.3 | 1 |
| Nucleosome-remodeling factor subunit BPTF CHEMBL3085621 | Kd | 5.55 | 5.55 | 2810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleosome-remodeling factor subunit BPTF | IC50 | = | 698.3 | nM | 6.16 | Inhibition of N-terminal GST-tagged human BPTF (2914 to 3037 residues) expressed... | 34375106 |
| Nucleosome-remodeling factor subunit BPTF | Kd | = | 2810.0 | nM | 5.55 | 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