Compound Detail
CHEMBL2349180
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Basic Information
| ChEMBL ID | CHEMBL2349180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDGYWARCEKJDIJ-CMPLNLGQSA-N |
2
Targets
2
Activities
1
Assay Types
5
PK Parameters
7
Publications
0
Known Names
Molecular Properties
440.0
MW (Da)
4.10
ALogP
8
HBA
3
HBD
103.8
PSA (Ų)
0.36
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CX3C chemokine receptor 1 CHEMBL4843 | Ki | 8.24 | 8.24 | 5.8 | 1 |
| C-X-C chemokine receptor type 2 CHEMBL2434 | Ki | 6.31 | 6.31 | 489.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 1.3 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 77.0 | mL.min-1.g-1 | Homo sapiens |
| F | 78.0 | % | Rattus norvegicus |
| T1/2 | 4.0 | hr | Rattus norvegicus |
| T1/2 | 5.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CX3C chemokine receptor 1 | Ki | = | 5.8 | nM | 8.24 | Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells afte... | 23516963 |
| C-X-C chemokine receptor type 2 | Ki | = | 489.0 | nM | 6.31 | Displacement of [125I]-IL8 from human CXCR2 transfected in HEK293 cells after 4 ... | 23516963 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23516963 | 10.1021/jm3012273 | Rattus norvegicus | 5 |
| 23516963 | 10.1021/jm3012273 | Caco-2 | 1 |
| 23516963 | 10.1021/jm3012273 | Liver microsomes | 1 |
| 23516963 | 10.1021/jm3012273 | No relevant target | 1 |
| 23516963 | 10.1021/jm3012273 | Unchecked | 1 |
| 23516963 | 10.1021/jm3012273 | C-X-C chemokine receptor type 2 | 1 |
| 23516963 | 10.1021/jm3012273 | CX3C chemokine receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine