Compound Detail
CHEMBL4873042
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Basic Information
| ChEMBL ID | CHEMBL4873042 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNAZPTARVAORJD-UHFFFAOYSA-N |
2
Targets
4
Activities
3
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
2.93
ALogP
6
HBA
1
HBD
83.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.57
EC50 1 meas. best 6.92
Kd 1 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleosome-remodeling factor subunit BPTF CHEMBL3085621 | IC50 | 7.57 | 7.57 | 26.9 | 1 |
| Nucleosome-remodeling factor subunit BPTF CHEMBL3085621 | EC50 | 6.92 | 6.92 | 120.0 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 6.05 | 6.05 | 890.0 | 1 |
| Nucleosome-remodeling factor subunit BPTF CHEMBL3085621 | Kd | 4.68 | 4.68 | 20700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleosome-remodeling factor subunit BPTF | IC50 | = | 26.9 | nM | 7.57 | Inhibition of N-terminal GST-tagged human BPTF (2914 to 3037 residues) expressed... | 34375106 |
| Nucleosome-remodeling factor subunit BPTF | EC50 | = | 120.0 | nM | 6.92 | Displacement of Halo-tagged histone H4 from NanoLuc-tagged BPTF (unknown origin)... | 34375106 |
| MV4-11 | IC50 | = | 890.0 | nM | 6.05 | Antiproliferative activity against human MC4-11 cells assessed as reduction in c... | 34375106 |
| Nucleosome-remodeling factor subunit BPTF | Kd | = | 20700.0 | nM | 4.68 | 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 | 12 |
| 34375106 | 10.1021/acs.jmedchem.1c00721 | MV4-11 | 5 |
| 34375106 | 10.1021/acs.jmedchem.1c00721 | Bromodomain-containing protein 2 | 4 |
| 34375106 | 10.1021/acs.jmedchem.1c00721 | Bromodomain-containing protein 4 | 4 |
| 34375106 | 10.1021/acs.jmedchem.1c00721 | Histone acetyltransferase p300 | 2 |
| 34375106 | 10.1021/acs.jmedchem.1c00721 | CREB-binding protein | 2 |
| 34375106 | 10.1021/acs.jmedchem.1c00721 | Probable global transcription activator SNF2L2 | 2 |
| 34375106 | 10.1021/acs.jmedchem.1c00721 | HUVEC | 1 |
| 34375106 | 10.1021/acs.jmedchem.1c00721 | MRC5 | 1 |
| 34375106 | 10.1021/acs.jmedchem.1c00721 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine