Compound Detail
CHEMBL4746865
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Basic Information
| ChEMBL ID | CHEMBL4746865 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZKHGLTYXIDOFH-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
271.3
MW (Da)
0.84
ALogP
6
HBA
3
HBD
87.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.67
Kd 3 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein polybromo-1 CHEMBL1795184 | Kd | 7.58 | 7.58 | 26.0 | 1 |
| Transcription activator BRG1 CHEMBL3085620 | Kd | 7.14 | 7.14 | 73.0 | 1 |
| Probable global transcription activator SNF2L2 CHEMBL2362979 | Kd | 6.87 | 6.87 | 135.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.67 | 6.52 | 214.0 | 2 |
| Probable global transcription activator SNF2L2 CHEMBL2362979 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
| Transcription activator BRG1 CHEMBL3085620 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein polybromo-1 | Kd | = | 26.0 | nM | 7.58 | Binding affinity to polybromo-1 (5) (unknown origin) by ITC analysis | 33216538 |
| Transcription activator BRG1 | Kd | = | 73.0 | nM | 7.14 | Binding affinity to SMARCA4 (unknown origin) by ITC analysis | 33216538 |
| Probable global transcription activator SNF2L2 | Kd | = | 135.0 | nM | 6.87 | Binding affinity to SMARCA2 (unknown origin) by ITC analysis | 33216538 |
| Unchecked | IC50 | = | 214.0 | nM | 6.67 | BRG1 TR-FRET Binding Assay: His-BRG1 (A1448-S1575; Swiss Prot P51532; mhhhhhhgsl... | - |
| Probable global transcription activator SNF2L2 | IC50 | = | 370.0 | nM | 6.43 | Inhibition of SMARCA2 BD (unknown origin) | 32871345 |
| Unchecked | IC50 | = | 430.0 | nM | 6.37 | Inhibition of PRIM1 BD5 (unknown origin) | 32871345 |
| Transcription activator BRG1 | IC50 | = | 550.0 | nM | 6.26 | Inhibition of SMARCA4 BD (unknown origin) | 32871345 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33216538 | 10.1021/acs.jmedchem.0c01242 | Protein polybromo-1 | 7 |
| 33216538 | 10.1021/acs.jmedchem.0c01242 | Transcription activator BRG1 | 2 |
| 33216538 | 10.1021/acs.jmedchem.0c01242 | Probable global transcription activator SNF2L2 | 2 |
| 32871345 | 10.1016/j.ejmech.2020.112750 | Probable global transcription activator SNF2L2 | 1 |
| 32871345 | 10.1016/j.ejmech.2020.112750 | Transcription activator BRG1 | 1 |
| 32871345 | 10.1016/j.ejmech.2020.112750 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine