Compound Detail
CHEMBL4635895
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Basic Information
| ChEMBL ID | CHEMBL4635895 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMZBRMFNEOLNFR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
341.5
MW (Da)
1.71
ALogP
6
HBA
1
HBD
53.4
PSA (Ų)
0.90
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 9 CHEMBL3108640 | Ki | 7.1 | 7.1 | 79.4 | 1 |
| Peregrin CHEMBL3132741 | Ki | 5.2 | 5.2 | 6309.6 | 1 |
| Bromodomain-containing protein 4 CHEMBL1163125 | Ki | 5.1 | 5.1 | 7943.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 9 | Ki | = | 79.43 | nM | 7.1 | Binding affinity to human partial length BRD9 (R130 to V259 residues) expressed ... | 32410449 |
| Peregrin | Ki | = | 6309.57 | nM | 5.2 | Binding affinity to human partial length BRPF1 (E627 to G740 residues) expressed... | 32410449 |
| Bromodomain-containing protein 4 | Ki | = | 7943.28 | nM | 5.1 | Binding affinity to human partial length BRD4 (1) (N44 to E168 residues) express... | 32410449 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32410449 | 10.1021/acs.jmedchem.0c00075 | Unchecked | 2 |
| 32410449 | 10.1021/acs.jmedchem.0c00075 | No relevant target | 1 |
| 32410449 | 10.1021/acs.jmedchem.0c00075 | Bromodomain-containing protein 9 | 1 |
| 32410449 | 10.1021/acs.jmedchem.0c00075 | Peregrin | 1 |
| 32410449 | 10.1021/acs.jmedchem.0c00075 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine