Compound Detail
CHEMBL419172
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O=C1CC2(CCN(CCC(CN3C(=O)N[C@H](c4ccccc4)C3=O)c3cccc(Cl)c3)CC2)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL419172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGIDXWHXFOXZPR-HOINCLMKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
542.1
MW (Da)
5.73
ALogP
4
HBA
1
HBD
69.7
PSA (Ų)
0.39
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 5 CHEMBL274 | IC50 | 6.22 | 6.22 | 606.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 5 | IC50 | = | 606.0 | nM | 6.22 | Binding affinity against C-C chemokine receptor type 5 stably expressed in Chine... | 11720851 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11720851 | 10.1016/s0960-894x(01)00654-0 | C-C chemokine receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine