Compound Detail
CHEMBL4648548
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Basic Information
| ChEMBL ID | CHEMBL4648548 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HONYBLSJNSYWKQ-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
1.45
ALogP
6
HBA
1
HBD
53.4
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.6
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 7 CHEMBL3085622 | Ki | 7.6 | 7.6 | 25.1 | 1 |
| Bromodomain-containing protein 9 CHEMBL3108640 | Ki | 7.4 | 7.4 | 39.8 | 1 |
| Bromodomain-containing protein 9 CHEMBL3108640 | IC50 | 6.7 | 6.7 | 199.5 | 1 |
| Peregrin CHEMBL3132741 | Ki | 6.6 | 6.6 | 251.2 | 1 |
| Bromodomain-containing protein 4 CHEMBL1163125 | Ki | 4.6 | 4.6 | 25118.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 7 | Ki | = | 25.12 | nM | 7.6 | Binding affinity to human partial length BRD7 (L125 to R254 residues) expressed ... | 32410449 |
| Bromodomain-containing protein 9 | Ki | = | 39.81 | nM | 7.4 | Binding affinity to human partial length BRD9 (R130 to V259 residues) expressed ... | 32410449 |
| Bromodomain-containing protein 9 | IC50 | = | 199.53 | nM | 6.7 | Binding affinity to BRD9 (unknown origin) N-terminal bromodomain by TR-FRET assa... | 32410449 |
| Peregrin | Ki | = | 251.19 | nM | 6.6 | Binding affinity to human partial length BRPF1 (E627 to G740 residues) expressed... | 32410449 |
| Bromodomain-containing protein 4 | Ki | = | 25118.86 | nM | 4.6 | 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 | Bromodomain-containing protein 9 | 3 |
| 32410449 | 10.1021/acs.jmedchem.0c00075 | Unchecked | 3 |
| 32410449 | 10.1021/acs.jmedchem.0c00075 | No relevant target | 3 |
| 32410449 | 10.1021/acs.jmedchem.0c00075 | Bromodomain-containing protein 4 | 2 |
| 32410449 | 10.1021/acs.jmedchem.0c00075 | Bromodomain-containing protein 7 | 2 |
| 32410449 | 10.1021/acs.jmedchem.0c00075 | Peregrin | 1 |
| 32410449 | 10.1021/acs.jmedchem.0c00075 | Transcription initiation factor TFIID subunit 1 | 1 |
| 32410449 | 10.1021/acs.jmedchem.0c00075 | B-cell CLL/lymphoma 7 protein family member A | 1 |
| 32410449 | 10.1021/acs.jmedchem.0c00075 | B-cell CLL/lymphoma 7 protein family member B | 1 |
| 32410449 | 10.1021/acs.jmedchem.0c00075 | Protein polybromo-1 | 1 |
| 32410449 | 10.1021/acs.jmedchem.0c00075 | Probable global transcription activator SNF2L2 | 1 |
| 32410449 | 10.1021/acs.jmedchem.0c00075 | Transcription activator BRG1 | 1 |
Data from ChEMBL 36 via Core Engine