Compound Detail
CHEMBL5799421
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Basic Information
| ChEMBL ID | CHEMBL5799421 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRPWASOMWDRLHQ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
369.5
MW (Da)
2.51
ALogP
6
HBA
2
HBD
95.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.17 | 7.9633 | 6.8 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6.8 | nM | 8.17 | Polybromodomain-1 BromoDomain-5 (PB1-BD5) SM TR-FRET Binding Assay: Histidine-Fl... | - |
| Unchecked | IC50 | = | 10.4 | nM | 7.98 | BRG1 TR-FRET Binding Assay: His-BRG1 (A1448-S1575; Swiss Prot P51532; mhhhhhhgsl... | - |
| Unchecked | IC50 | = | 18.4 | nM | 7.74 | BRM SM TR-FRET Binding Assay: Histidine epitope tagged BRM (Isoform 2) Bromodoma... | - |
Data from ChEMBL 36 via Core Engine