Compound Detail
CHEMBL5797328
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C/C=C/Cn1cc(-c2ccc(C(=O)N3CCC(C(N)=O)CC3)c(Cl)c2)c2cc(C)[nH]c2c1=O
Basic Information
| ChEMBL ID | CHEMBL5797328 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEEILAZDPQURAT-ONEGZZNKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
467.0
MW (Da)
3.87
ALogP
4
HBA
2
HBD
101.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 9 CHEMBL3108640 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 9 | IC50 | = | 3.0 | nM | 8.52 | IC50 measurements for inhibitors using BRD9 AlphaLisa Binding Assay: His/Flag ep... | - |
Data from ChEMBL 36 via Core Engine