Compound Detail
CHEMBL5805995
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Cn1cc(-c2cc(S(C)(=O)=O)ccc2Oc2cccc(NS(=O)(=O)c3cccc(F)c3)c2)c2cc[nH]c2c1=O
Basic Information
| ChEMBL ID | CHEMBL5805995 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPEHNRWFTUPBAO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
567.6
MW (Da)
4.67
ALogP
7
HBA
2
HBD
127.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | Ki | 8.7 | 8.485 | 2.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | Ki | = | 2.0 | nM | 8.7 | TR-FRET Assay (BD2: amino acids E352-E168): Compound dilution series were prepar... | - |
| Bromodomain-containing protein 4 | Ki | = | 5.4 | nM | 8.27 | TR-FRET Assay (BD1: amino acids K57-E168): Compound dilution series were prepare... | - |
Data from ChEMBL 36 via Core Engine