Compound Detail
CHEMBL1688240
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN(C3CCc4cc(C(F)(F)F)ccc43)[C@@H](C)C2)CC1
Basic Information
| ChEMBL ID | CHEMBL1688240 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SARHRNVKZXZFIW-VEXWJQHLSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
515.6
MW (Da)
4.80
ALogP
5
HBA
0
HBD
52.6
PSA (Ų)
0.59
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 5 CHEMBL274 | IC50 | 8.92 | 8.61 | 1.2 | 2 |
| Human immunodeficiency virus 1 CHEMBL378 | 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 | = | 1.2 | nM | 8.92 | Antagonist activity at CCR5 in IL-10 stimulated human PBMC cells assessed as MIP... | 24900235 |
| C-C chemokine receptor type 5 | IC50 | = | 5.0 | nM | 8.3 | Displacement of [125I]MIP-1beta from CCR5 in IL-10-stimulated human monocytes | 24900235 |
| Human immunodeficiency virus 1 | IC50 | = | 19.0 | nM | 7.72 | Antiviral activity against HIV-1 BaL infected in PHA-stimulated human PBMC cells... | 24900235 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900235 | 10.1021/ml1001536 | C-C chemokine receptor type 5 | 2 |
| 24900235 | 10.1021/ml1001536 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine