Compound Detail
CHEMBL1802333
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Basic Information
| ChEMBL ID | CHEMBL1802333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYIWMFHGPQGUIL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
473.0
MW (Da)
3.03
ALogP
9
HBA
3
HBD
100.1
PSA (Ų)
0.38
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-X-C chemokine receptor type 4 CHEMBL2107 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.25 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-X-C chemokine receptor type 4 | IC50 | = | 0.8 | nM | 9.1 | Antagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 a... | 21105715 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21105715 | 10.1021/jm100786g | Mus musculus | 5 |
| 21105715 | 10.1021/jm100786g | C-X-C chemokine receptor type 4 | 4 |
| 21105715 | 10.1021/jm100786g | NON-PROTEIN TARGET | 1 |
| 21105715 | 10.1021/jm100786g | MDA-MB-231 | 1 |
| 21105715 | 10.1021/jm100786g | C-C chemokine receptor type 5 | 1 |
| 21105715 | 10.1021/jm100786g | C-C chemokine receptor type 3 | 1 |
Data from ChEMBL 36 via Core Engine