Compound Detail
CHEMBL20818
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COP(=O)(CCC1CCN(C[C@H]2CN([C@H](CC3CC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL20818 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPBLAMOSILDGGB-DYOXTUNASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
556.7
MW (Da)
5.45
ALogP
5
HBA
1
HBD
70.1
PSA (Ų)
0.35
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 5 CHEMBL274 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 5 | IC50 | = | 19.0 | nM | 7.72 | Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on C... | 12467630 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12467630 | 10.1016/s0960-894x(02)00829-6 | C-C chemokine receptor type 5 | 1 |
| 12467630 | 10.1016/s0960-894x(02)00829-6 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine