Compound Detail
CHEMBL159097
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c1ccc(C2CCN(C[C@H]3CN4O[C@H](c5ccccc5)C[C@H]4[C@@H]3c3ccccc3)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL159097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQOGOOYTWRIHLO-GCXHJFECSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
438.6
MW (Da)
6.03
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.48
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 5 CHEMBL274 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 5 | IC50 | = | 27.0 | nM | 7.57 | Ability to displace [125I]-labeled MIP-1alpha from the C-C chemokine receptor ty... | 11844699 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11844699 | 10.1016/s0960-894x(01)00835-6 | C-C chemokine receptor type 5 | 1 |
| 11844699 | 10.1016/s0960-894x(01)00835-6 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine