Compound Detail
CHEMBL3822689
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Basic Information
| ChEMBL ID | CHEMBL3822689 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLPRXFLUVHYBBT-VAWYXSNFSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
330.8
MW (Da)
2.04
ALogP
5
HBA
0
HBD
41.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 5 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein polybromo-1 CHEMBL1795184 | Kd | 6.91 | 6.91 | 124.0 | 1 |
| Probable global transcription activator SNF2L2 CHEMBL2362979 | Kd | 6.58 | 6.58 | 262.0 | 2 |
| Transcription activator BRG1 CHEMBL3085620 | Kd | 6.38 | 6.38 | 417.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein polybromo-1 | Kd | = | 124.0 | nM | 6.91 | Binding affinity to His6-tagged human recombinant PB1 bromodomain isoform 5 expr... | 27119626 |
| Probable global transcription activator SNF2L2 | Kd | = | 262.0 | nM | 6.58 | Binding affinity to His6-tagged human recombinant SMARCA2B bromodomain expressed... | 27119626 |
| Probable global transcription activator SNF2L2 | Kd | = | 262.0 | nM | 6.58 | Binding affinity to SMARCA2 (unknown origin) | 37523716 |
| Transcription activator BRG1 | Kd | = | 417.0 | nM | 6.38 | Binding affinity to His6-tagged human recombinant SMARCA4 bromodomain expressed ... | 27119626 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27119626 | 10.1021/acs.jmedchem.5b01997 | Protein polybromo-1 | 6 |
| 27119626 | 10.1021/acs.jmedchem.5b01997 | Probable global transcription activator SNF2L2 | 4 |
| 27119626 | 10.1021/acs.jmedchem.5b01997 | Transcription activator BRG1 | 2 |
| 27119626 | 10.1021/acs.jmedchem.5b01997 | Histone acetyltransferase KAT2B | 1 |
| 27119626 | 10.1021/acs.jmedchem.5b01997 | Bromodomain-containing protein 4 | 1 |
| 27119626 | 10.1021/acs.jmedchem.5b01997 | CREB-binding protein | 1 |
| 27119626 | 10.1021/acs.jmedchem.5b01997 | E3 ubiquitin-protein ligase TRIM33 | 1 |
| 27119626 | 10.1021/acs.jmedchem.5b01997 | No relevant target | 1 |
| 37523716 | 10.1021/acs.jmedchem.3c00953 | Probable global transcription activator SNF2L2 | 1 |
| 37523716 | 10.1021/acs.jmedchem.3c00953 | Transcription activator BRG1 | 1 |
Data from ChEMBL 36 via Core Engine