Compound Detail
CHEMBL5986822
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Cc1[nH]c(-c2cc(NS(=O)(=O)N(C)C)ccc2Oc2ccc(F)cc2F)c2c1C(=O)CCC2
Basic Information
| ChEMBL ID | CHEMBL5986822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRXGMFLVIUSNDK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
475.5
MW (Da)
4.80
ALogP
4
HBA
2
HBD
91.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | Ki | 7.37 | 7.37 | 43.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | Ki | = | 43.0 | nM | 7.37 | TR-FRET Assay: Compound dilution series were prepared in DMSO via a 3-fold seria... | - |
Data from ChEMBL 36 via Core Engine