Compound Detail
CHEMBL40080
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Basic Information
| ChEMBL ID | CHEMBL40080 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOAPNZIKRKHEHR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
3.46
ALogP
5
HBA
1
HBD
77.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-8 receptors, CXCR1/CXCR2 CHEMBL2096909 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-8 receptors, CXCR1/CXCR2 | IC50 | = | 410.0 | nM | 6.39 | Inhibition against GRO-alpha driven human neutrophil chemotaxis | 12031332 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12031332 | 10.1016/s0960-894x(02)00188-9 | Interleukin-8 receptors, CXCR1/CXCR2 | 1 |
| 12031332 | 10.1016/s0960-894x(02)00188-9 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine