Compound Detail
CHEMBL403936
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Basic Information
| ChEMBL ID | CHEMBL403936 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPCFLIBERCNFID-IGJPIEKJSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
3.20
ALogP
7
HBA
3
HBD
113.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.42
Ki 2 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-8 receptors, CXCR1/CXCR2 CHEMBL2096909 | IC50 | 7.42 | 6.795 | 38.0 | 2 |
| C-X-C chemokine receptor type 2 CHEMBL2434 | Ki | 7.24 | 7.24 | 58.0 | 1 |
| C-X-C chemokine receptor type 1 CHEMBL4029 | Ki | 6.32 | 6.32 | 484.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-8 receptors, CXCR1/CXCR2 | IC50 | = | 38.0 | nM | 7.42 | Antagonist activity at CXCR1/CXCR2 in human PMN cells assessed as inhibition of ... | 18006311 |
| C-X-C chemokine receptor type 2 | Ki | = | 58.0 | nM | 7.24 | Binding affinity to CXCR2 | 18006311 |
| C-X-C chemokine receptor type 1 | Ki | = | 484.0 | nM | 6.32 | Binding affinity to CXCR1 | 18006311 |
| Interleukin-8 receptors, CXCR1/CXCR2 | IC50 | = | 684.0 | nM | 6.17 | Antagonist activity at CXCR1/CXCR2 in human PMN cells assessed as inhibition of ... | 18006311 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18006311 | 10.1016/j.bmcl.2007.10.094 | Interleukin-8 receptors, CXCR1/CXCR2 | 2 |
| 18006311 | 10.1016/j.bmcl.2007.10.094 | C-X-C chemokine receptor type 1 | 1 |
| 18006311 | 10.1016/j.bmcl.2007.10.094 | C-X-C chemokine receptor type 2 | 1 |
| 18006311 | 10.1016/j.bmcl.2007.10.094 | Blood | 1 |
Data from ChEMBL 36 via Core Engine