Compound Detail
CHEMBL427739
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Basic Information
| ChEMBL ID | CHEMBL427739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWKOQWOOVUATNI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
245.2
MW (Da)
3.20
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-8 CHEMBL2157 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-8 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of CXCL8-induced chemotaxis in human polymorphonuclear leukocyte pret... | 19560921 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17434872 | 10.1074/jbc.m609883200 | Prostaglandin G/H synthase 2 | 2 |
| 24060487 | 10.1016/j.bmcl.2013.08.097 | Prostaglandin G/H synthase 2 | 2 |
| 17434872 | 10.1074/jbc.m609883200 | Prostaglandin G/H synthase 1 | 1 |
| 19560921 | 10.1016/j.bmcl.2009.06.027 | Interleukin-8 | 1 |
| 19560921 | 10.1016/j.bmcl.2009.06.027 | ADMET | 1 |
| 19560921 | 10.1016/j.bmcl.2009.06.027 | L1.2 | 1 |
Data from ChEMBL 36 via Core Engine