Compound Detail
CHEMBL5956546
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Cn1cc(-c2cc(C(C)(C)O)cnc2Oc2c(Cl)cc(F)cc2Cl)c2cc(C(=O)NC(C)(C)C)[nH]c2c1=O
Basic Information
| ChEMBL ID | CHEMBL5956546 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCESIXXWYLYUPM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
561.4
MW (Da)
5.92
ALogP
6
HBA
3
HBD
109.2
PSA (Ų)
0.28
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | Ki | 8.25 | 7.595 | 5.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | Ki | = | 5.6 | nM | 8.25 | TR-FRET Assay: Compound dilution series were prepared in DMSO via an approximate... | - |
| Bromodomain-containing protein 4 | Ki | = | 115.0 | nM | 6.94 | TR-FRET Assay: Compound dilution series were prepared in DMSO via an approximate... | - |
Data from ChEMBL 36 via Core Engine