Compound Detail
CHEMBL4873093
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CC1=C(Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2F)NC2C=CC(c3cnn(C4CC4)c3)=CN2C1=O
Basic Information
| ChEMBL ID | CHEMBL4873093 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMHCSLRDQVEIIJ-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
539.6
MW (Da)
2.31
ALogP
8
HBA
2
HBD
102.8
PSA (Ų)
0.58
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.8
Kd 1 meas. best 7.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleosome-remodeling factor subunit BPTF CHEMBL3085621 | IC50 | 7.8 | 7.66 | 16.0 | 2 |
| Nucleosome-remodeling factor subunit BPTF CHEMBL3085621 | Kd | 7.15 | 7.15 | 71.0 | 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 BPTF in human HEK293 cells by NanoBRET assay | 34146702 |
| Nucleosome-remodeling factor subunit BPTF | IC50 | = | 30.0 | nM | 7.52 | Inhibition of BPTF (unknown origin) by AlphaScreen assay | 34146702 |
| Nucleosome-remodeling factor subunit BPTF | Kd | = | 71.0 | nM | 7.15 | Binding affinity to BPTF (unknown origin) by BLI assay | 34146702 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34146702 | 10.1016/j.bmcl.2021.128208 | Nucleosome-remodeling factor subunit BPTF | 12 |
| 34146702 | 10.1016/j.bmcl.2021.128208 | Unchecked | 5 |
| 34146702 | 10.1016/j.bmcl.2021.128208 | B16-F10 | 1 |
Data from ChEMBL 36 via Core Engine