Compound Detail
CHEMBL5781858
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Basic Information
| ChEMBL ID | CHEMBL5781858 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COKXUIZUCWUEQS-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
3.16
ALogP
5
HBA
2
HBD
75.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.65 | 7.5 | 22.2 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 22.2 | nM | 7.65 | BRG1 TR-FRET Binding Assay: His-BRG1 (A1448-S1575; Swiss Prot P51532; mhhhhhhgsl... | - |
| Unchecked | IC50 | = | 28.8 | nM | 7.54 | Polybromodomain-1 BromoDomain-5 (PB1-BD5) SM TR-FRET Binding Assay: Histidine-Fl... | - |
| Unchecked | IC50 | = | 49.3 | nM | 7.31 | BRM SM TR-FRET Binding Assay: Histidine epitope tagged BRM (Isoform 2) Bromodoma... | - |
Data from ChEMBL 36 via Core Engine