Compound Detail
CHEMBL5431005
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Basic Information
| ChEMBL ID | CHEMBL5431005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDGYSKKTWNREMX-SECBINFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
244.3
MW (Da)
2.31
ALogP
5
HBA
1
HBD
68.2
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein polybromo-1 CHEMBL1795184 | Kd | 4.85 | 4.85 | 14000.0 | 1 |
| Probable global transcription activator SNF2L2 CHEMBL2362979 | Kd | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein polybromo-1 | Kd | = | 14000.0 | nM | 4.85 | Binding affinity to PBRM1 bromodomain 2 (unknown origin) assessed as dissociatio... | 37702400 |
| Probable global transcription activator SNF2L2 | Kd | = | 15000.0 | nM | 4.82 | Binding affinity to SMARCA2 (unknown origin) assessed as dissociation constant b... | 37702400 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37702400 | 10.1021/acs.jmedchem.3c01149 | Unchecked | 6 |
| 37702400 | 10.1021/acs.jmedchem.3c01149 | Protein polybromo-1 | 2 |
| 37702400 | 10.1021/acs.jmedchem.3c01149 | Probable global transcription activator SNF2L2 | 1 |
| 37702400 | 10.1021/acs.jmedchem.3c01149 | Transcription activator BRG1 | 1 |
| 37702400 | 10.1021/acs.jmedchem.3c01149 | Nuclear receptor subfamily 1 group I member 2 | 1 |
| 37702400 | 10.1021/acs.jmedchem.3c01149 | Oxysterols receptor LXR-alpha | 1 |
| 37702400 | 10.1021/acs.jmedchem.3c01149 | Oxysterols receptor LXR-beta | 1 |
Data from ChEMBL 36 via Core Engine