Compound Detail
CHEMBL429682
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL429682 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOFYUEAKHHJNFS-MRVPVSSYSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
6
Publications
0
Known Names
Molecular Properties
461.5
MW (Da)
2.82
ALogP
9
HBA
3
HBD
117.1
PSA (Ų)
0.35
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-X-C chemokine receptor type 2 CHEMBL2434 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 44.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 5.0 | % | Rattus norvegicus |
| Fu | 0.011 | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-X-C chemokine receptor type 2 | IC50 | = | 5.0 | nM | 8.3 | Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells... | 18240390 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301361 | No relevant target | 3 |
| 18240390 | 10.1016/j.bmcl.2007.11.039 | Rattus norvegicus | 2 |
| 18240390 | 10.1016/j.bmcl.2007.11.039 | No relevant target | 2 |
| 18240390 | 10.1016/j.bmcl.2007.11.039 | C-X-C chemokine receptor type 2 | 1 |
| 18240390 | 10.1016/j.bmcl.2007.11.039 | Plasma | 1 |
| - | 10.6019/CHEMBL3301361 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine