Compound Detail
CHEMBL309922
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CN(CC(CCN1CCC(NC(=O)NCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL309922 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AARBZINJGYTIMT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
534.7
MW (Da)
4.44
ALogP
4
HBA
2
HBD
81.8
PSA (Ų)
0.38
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 5 CHEMBL274 | IC50 | 8.6 | 7.8 | 2.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 5 | IC50 | = | 2.512 | nM | 8.6 | Antagonist activity at Homo sapiens (human) CCR5 receptor | - |
| C-C chemokine receptor type 5 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chi... | 11549450 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11549450 | 10.1016/s0960-894x(01)00492-9 | C-C chemokine receptor type 5 | 1 |
| - | 10.1007/s00044-012-0138-3 | C-C chemokine receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine