Compound Detail
CHEMBL201799
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Basic Information
| ChEMBL ID | CHEMBL201799 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBZXBNSXCINDKB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
270.4
MW (Da)
2.66
ALogP
7
HBA
2
HBD
84.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-8 receptors, CXCR1/CXCR2 CHEMBL2096909 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| C-X-C chemokine receptor type 2 CHEMBL2434 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 18.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 18.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-8 receptors, CXCR1/CXCR2 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of GROalpha-stimulated intracellular calcium mobilisation in human ne... | 16297626 |
| C-X-C chemokine receptor type 2 | IC50 | = | 10000.0 | nM | 5.0 | Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 membr... | 16297626 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16297626 | 10.1016/j.bmcl.2005.10.091 | C-X-C chemokine receptor type 2 | 1 |
| 16297626 | 10.1016/j.bmcl.2005.10.091 | Interleukin-8 receptors, CXCR1/CXCR2 | 1 |
| 16297626 | 10.1016/j.bmcl.2005.10.091 | Liver microsomes | 1 |
| 16297626 | 10.1016/j.bmcl.2005.10.091 | No relevant target | 1 |
| - | 10.6019/CHEMBL3301361 | ADMET | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine