Compound Detail
CHEMBL5770282
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COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc([S+](C)[O-])c4OC)c4ccccc34)ccn2)cc(OCCOCCOCC(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL5770282 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTVGLLMNJVNOCJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
786.9
MW (Da)
7.96
ALogP
11
HBA
4
HBD
181.8
PSA (Ų)
0.05
QED
3
Ro5 Violations
18
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-8 CHEMBL2157 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-8 | IC50 | = | 8.0 | nM | 8.1 | PBMC Cell Assay: PBMCs from healthy subjects are separated from whole blood usin... | - |
Data from ChEMBL 36 via Core Engine