Compound Detail
CHEMBL4848701
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Basic Information
| ChEMBL ID | CHEMBL4848701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RORQWFZBNDBULQ-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
320.8
MW (Da)
2.67
ALogP
5
HBA
1
HBD
50.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 7.16
IC50 1 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleosome-remodeling factor subunit BPTF CHEMBL3085621 | IC50 | 7.25 | 7.25 | 56.0 | 1 |
| Nucleosome-remodeling factor subunit BPTF CHEMBL3085621 | Kd | 7.16 | 7.16 | 70.0 | 1 |
| Bromodomain-containing protein 9 CHEMBL3108640 | Kd | 6.64 | 6.64 | 230.0 | 1 |
| Histone acetyltransferase KAT2B CHEMBL5500 | Kd | 6.43 | 6.43 | 370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleosome-remodeling factor subunit BPTF | IC50 | = | 56.0 | nM | 7.25 | Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL... | 34515477 |
| Nucleosome-remodeling factor subunit BPTF | Kd | = | 70.0 | nM | 7.16 | Binding affinity to BPTF (unknown origin) by by BROMOscan method | 34515477 |
| Bromodomain-containing protein 9 | Kd | = | 230.0 | nM | 6.64 | Binding affinity to BRD9 (unknown origin) by BROMOscan method | 34515477 |
| Histone acetyltransferase KAT2B | Kd | = | 370.0 | nM | 6.43 | Binding affinity to PCAF (unknown origin) by BROMOscan method | 34515477 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34515477 | 10.1021/acs.jmedchem.1c01294 | Nucleosome-remodeling factor subunit BPTF | 2 |
| 34515477 | 10.1021/acs.jmedchem.1c01294 | Histone acetyltransferase KAT2B | 1 |
| 34515477 | 10.1021/acs.jmedchem.1c01294 | Bromodomain-containing protein 9 | 1 |
Data from ChEMBL 36 via Core Engine