Compound Detail
CHEMBL2349179
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 | CHEMBL2349179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IODWPMZCKDAIJU-CMPLNLGQSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
439.0
MW (Da)
4.39
ALogP
9
HBA
3
HBD
109.8
PSA (Ų)
0.35
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CX3C chemokine receptor 1 CHEMBL4843 | Ki | 8.21 | 8.21 | 6.2 | 1 |
| C-X-C chemokine receptor type 2 CHEMBL2434 | Ki | 5.95 | 5.95 | 1129.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 81.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CX3C chemokine receptor 1 | Ki | = | 6.2 | nM | 8.21 | Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells afte... | 23516963 |
| C-X-C chemokine receptor type 2 | Ki | = | 1129.0 | nM | 5.95 | 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 | 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