Compound Detail
CHEMBL5810731
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Cc1sc2c(c1C)C(c1ccc(C#N)cc1)=N[C@@H](CC(=O)NCCCN1CCN(C)CC1)c1nnc(C)n1-2
Basic Information
| ChEMBL ID | CHEMBL5810731 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOYMCIQWSHFMKE-QHCPKHFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
530.7
MW (Da)
3.16
ALogP
9
HBA
1
HBD
102.4
PSA (Ų)
0.47
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Bromodomain testis-specific protein CHEMBL1795185 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 50.0 | nM | 7.3 | ATPLITE assay: Acetyl-Histone Binding Assay. Assays were performed as described ... | - |
| Bromodomain testis-specific protein | IC50 | = | 120.0 | nM | 6.92 | ATPLITE assay: Acetyl-Histone Binding Assay. Assays were performed as described ... | - |
Data from ChEMBL 36 via Core Engine