Compound Detail
CHEMBL5411199
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Basic Information
| ChEMBL ID | CHEMBL5411199 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXXHZDPNIIOTSH-LLVKDONJSA-N |
5
Targets
6
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
284.4
MW (Da)
2.81
ALogP
5
HBA
2
HBD
75.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 7.62
EC50 1 meas. best 5.07
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Probable global transcription activator SNF2L2 CHEMBL2362979 | Kd | 7.62 | 7.62 | 24.0 | 1 |
| Protein polybromo-1 CHEMBL1795184 | Kd | 7.4 | 7.28 | 40.0 | 2 |
| Transcription activator BRG1 CHEMBL3085620 | Kd | 7.22 | 7.22 | 60.0 | 1 |
| Nuclear receptor subfamily 1 group I member 2 CHEMBL3401 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Oxysterols receptor LXR-alpha CHEMBL2808 | EC50 | 5.07 | 5.07 | 8600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Probable global transcription activator SNF2L2 | Kd | = | 24.0 | nM | 7.62 | Binding affinity to SMARCA2 (unknown origin) assessed as dissociation constant b... | 37702400 |
| Protein polybromo-1 | Kd | = | 40.0 | nM | 7.4 | Binding affinity to PBRM1 bromodomain 5 (unknown origin) assessed as dissociatio... | 37702400 |
| Transcription activator BRG1 | Kd | = | 60.0 | nM | 7.22 | Binding affinity to SMARCA4 (unknown origin) assessed as dissociation constant b... | 37702400 |
| Protein polybromo-1 | Kd | = | 70.0 | nM | 7.16 | Binding affinity to PBRM1 bromodomain 2 (unknown origin) assessed as dissociatio... | 37702400 |
| Nuclear receptor subfamily 1 group I member 2 | IC50 | = | 2000.0 | nM | 5.7 | Binding affinity to PXR (unknown origin) by Lanthascreen TR-FRET assay | 37702400 |
| Oxysterols receptor LXR-alpha | EC50 | = | 8600.0 | nM | 5.07 | Binding affinity to LXR alpha (unknown origin) by Lanthascreen TR-FRET assay | 37702400 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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