Compound Detail
CHEMBL5420238
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Basic Information
| ChEMBL ID | CHEMBL5420238 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JISLSABSHWDDTJ-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
267.3
MW (Da)
1.83
ALogP
6
HBA
2
HBD
89.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.43
Kd 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.43 | 8.1067 | 3.7 | 3 |
| Probable global transcription activator SNF2L2 CHEMBL2362979 | Kd | 8.0 | 8.0 | 10.0 | 1 |
| Transcription activator BRG1 CHEMBL3085620 | Kd | 4.89 | 4.89 | 12800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3.7 | nM | 8.43 | Polybromodomain-1 BromoDomain-5 (PB1-BD5) SM TR-FRET Binding Assay: Histidine-Fl... | - |
| Unchecked | IC50 | = | 10.0 | nM | 8.0 | BRM SM TR-FRET Binding Assay: Histidine epitope tagged BRM (Isoform 2) Bromodoma... | - |
| Probable global transcription activator SNF2L2 | Kd | = | 10.0 | nM | 8.0 | Binding affinity to SMARCA2 (unknown origin) | 37523716 |
| Unchecked | IC50 | = | 12.8 | nM | 7.89 | BRG1 TR-FRET Binding Assay: His-BRG1 (A1448-S1575; Swiss Prot P51532; mhhhhhhgsl... | - |
| Transcription activator BRG1 | Kd | = | 12800.0 | nM | 4.89 | Binding affinity to SMARCA4 (unknown origin) | 37523716 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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