Compound Detail
CHEMBL4745933
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Basic Information
| ChEMBL ID | CHEMBL4745933 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJJRSKYLYIDEHO-AWEZNQCLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
413.9
MW (Da)
3.07
ALogP
6
HBA
3
HBD
107.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-X-C chemokine receptor type 2 CHEMBL2434 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| C-X-C chemokine receptor type 1 CHEMBL4029 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-X-C chemokine receptor type 2 | IC50 | = | 4000.0 | nM | 5.4 | Antagonist activity in CXCR2 (unknown origin) expressed in human HEK293 cells co... | 34055234 |
| C-X-C chemokine receptor type 1 | IC50 | = | 100000.0 | nM | 4.0 | Antagonist activity in CXCR1 (unknown origin) expressed in human HEK293 cells co... | 34055234 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34055234 | 10.1021/acsmedchemlett.1c00113 | C-X-C chemokine receptor type 2 | 1 |
| 34055234 | 10.1021/acsmedchemlett.1c00113 | C-X-C chemokine receptor type 1 | 1 |
| 34055234 | 10.1021/acsmedchemlett.1c00113 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine