Compound Detail
CHEMBL403656
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Basic Information
| ChEMBL ID | CHEMBL403656 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSSRJFFDFHBKHW-SECBINFHSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
403.4
MW (Da)
2.55
ALogP
7
HBA
3
HBD
114.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-X-C chemokine receptor type 2 CHEMBL2434 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.017 | - | 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 | = | 16.0 | nM | 7.8 | Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells... | 18240390 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18240390 | 10.1016/j.bmcl.2007.11.039 | No relevant target | 2 |
| - | 10.6019/CHEMBL3301361 | 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