Compound Detail
CHEMBL245699
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Basic Information
| ChEMBL ID | CHEMBL245699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDHCGTYXANMGHV-CQSZACIVSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
3.15
ALogP
7
HBA
3
HBD
111.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-X-C chemokine receptor type 2 CHEMBL2434 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| C-X-C chemokine receptor type 1 CHEMBL4029 | Ki | 8.15 | 8.15 | 7.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 7159.4 | ng.hr.mL-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-X-C chemokine receptor type 2 | Ki | = | 1.0 | nM | 9.0 | Displacement of [125I]IL8 from human CXCR2 expressed in CHO cells by SPA | 17459706 |
| C-X-C chemokine receptor type 1 | Ki | = | 7.0 | nM | 8.15 | Displacement of [125I]IL8 from human CXCR1 expressed in CHO cells by SPA | 17459706 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17459706 | 10.1016/j.bmcl.2007.04.016 | C-X-C chemokine receptor type 2 | 1 |
| 17459706 | 10.1016/j.bmcl.2007.04.016 | C-X-C chemokine receptor type 1 | 1 |
| 17459706 | 10.1016/j.bmcl.2007.04.016 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine