Compound Detail
CHEMBL5564941
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Basic Information
| ChEMBL ID | CHEMBL5564941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMCUMWPAQOSMGV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
2.69
ALogP
8
HBA
2
HBD
100.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Probable global transcription activator SNF2L2 CHEMBL2362979 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| Transcription activator BRG1 CHEMBL3085620 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Probable global transcription activator SNF2L2 | IC50 | = | 1.2 | nM | 8.92 | Binding affinity to his-tagged BRM bromodomain (unknown origin) by alpha-LISA as... | 38180485 |
| Transcription activator BRG1 | IC50 | = | 3.3 | nM | 8.48 | Binding affinity to his-tagged BRG1 bromodomain (unknown origin) by alpha-LISA a... | 38180485 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38180485 | 10.1021/acs.jmedchem.3c01781 | Probable global transcription activator SNF2L2 | 1 |
| 38180485 | 10.1021/acs.jmedchem.3c01781 | Transcription activator BRG1 | 1 |
| 38180485 | 10.1021/acs.jmedchem.3c01781 | NCI-H1944 | 1 |
| 38180485 | 10.1021/acs.jmedchem.3c01781 | Calu-6 | 1 |
Data from ChEMBL 36 via Core Engine