Compound Detail
CHEMBL182188
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CN1C(=O)CCC2CN(CC[C@](C)(CN(C)S(=O)(=O)c3ccccc3)c3ccccc3)CCC21
Basic Information
| ChEMBL ID | CHEMBL182188 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPHAZZUHBRVUDC-GHTCIJBCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
483.7
MW (Da)
3.60
ALogP
4
HBA
0
HBD
60.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 5 CHEMBL274 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 5 | IC50 | = | 28.0 | nM | 7.55 | Inhibitory concentration against human C-C chemokine receptor type 5 in CHO cell... | 15686896 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15686896 | 10.1016/j.bmcl.2004.12.044 | C-C chemokine receptor type 5 | 1 |
| 15686896 | 10.1016/j.bmcl.2004.12.044 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine