Compound Detail
CHEMBL5796364
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Cc1cc(C(C)(C)O)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2[nH]c(C(=O)NC(C)(C)C)cc12
Basic Information
| ChEMBL ID | CHEMBL5796364 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSSVLKFFNNQJQI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
559.7
MW (Da)
5.93
ALogP
6
HBA
4
HBD
116.6
PSA (Ų)
0.23
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | Ki | 8.8 | 7.78 | 1.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | Ki | = | 1.6 | nM | 8.8 | TR-FRET Assay: Compound dilution series were prepared in DMSO via an approximate... | - |
| Bromodomain-containing protein 4 | Ki | = | 175.0 | nM | 6.76 | TR-FRET Assay: Compound dilution series were prepared in DMSO via an approximate... | - |
Data from ChEMBL 36 via Core Engine