Compound Detail
CHEMBL2349321
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Basic Information
| ChEMBL ID | CHEMBL2349321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOSWDIGGZMWFHV-CYBMUJFWSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
8
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
3.49
ALogP
7
HBA
3
HBD
90.9
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CX3C chemokine receptor 1 CHEMBL4843 | Ki | 7.52 | 7.52 | 30.0 | 1 |
| C-X-C chemokine receptor type 2 CHEMBL2434 | Ki | 7.1 | 7.1 | 79.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 13.49 | uL.min-1.(10^6cells)-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CX3C chemokine receptor 1 | Ki | = | 30.0 | nM | 7.52 | Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells afte... | 23516963 |
| C-X-C chemokine receptor type 2 | Ki | = | 79.0 | nM | 7.1 | Displacement of [125I]-IL8 from human CXCR2 transfected in HEK293 cells after 4 ... | 23516963 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301361 | ADMET | 2 |
| 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 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine