Compound Detail
CHEMBL325957
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Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccccc3)[C@@H](C)C2)CC1
Basic Information
| ChEMBL ID | CHEMBL325957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GULMMOWWLOPXLP-GOTSBHOMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
419.6
MW (Da)
4.68
ALogP
3
HBA
0
HBD
26.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 5 CHEMBL274 | Ki | 6.56 | 6.56 | 275.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 5 | Ki | = | 275.0 | nM | 6.56 | Binding affinity towards C-C chemokine receptor type 5 | 11585438 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11585438 | 10.1021/jm0155401 | C-C chemokine receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine