Compound Detail
CHEMBL5786724
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COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)cc(OCCOCCOC(C)C(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL5786724 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JORSZROBTLNIFV-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
832.0
MW (Da)
7.99
ALogP
12
HBA
5
HBD
204.9
PSA (Ų)
0.05
QED
3
Ro5 Violations
19
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-8 CHEMBL2157 | IC50 | 8.14 | 7.9467 | 7.3 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-8 | IC50 | = | 7.3 | nM | 8.14 | PBMC Cell Assay: PBMCs from healthy subjects are separated from whole blood usin... | - |
| Interleukin-8 | IC50 | = | 10.4 | nM | 7.98 | PBMC Cell Assay: PBMCs from healthy subjects are separated from whole blood usin... | - |
| Interleukin-8 | IC50 | = | 19.1 | nM | 7.72 | PBMC Cell Assay: PBMCs from healthy subjects are separated from whole blood usin... | - |
Data from ChEMBL 36 via Core Engine