Compound Detail
CHEMBL5611972
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Basic Information
| ChEMBL ID | CHEMBL5611972 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTHMHZLQSMPVDA-UHFFFAOYSA-N |
| Parent Compound | CHEMBL6070650 |
| Active Moiety | CHEMBL6070650 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
222.3
MW (Da)
1.74
ALogP
6
HBA
1
HBD
77.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-X-C chemokine receptor type 4 CHEMBL2107 | EC50 | 9.72 | 9.72 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-X-C chemokine receptor type 4 | EC50 | = | 0.19 | nM | 9.72 | Antagonist activity at CXCR4 (unknown origin) expressed in human HEK293T cells a... | 38879970 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38879970 | 10.1016/j.ejmech.2024.116594 | C-X-C chemokine receptor type 4 | 1 |
Data from ChEMBL 36 via Core Engine