Compound Detail
CHEMBL2096696
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N#Cc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@H](Cc3ccc(F)cc3)C2)c1
Basic Information
| ChEMBL ID | CHEMBL2096696 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYWBSASXGCRFHA-MVERNJQCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
448.6
MW (Da)
5.33
ALogP
3
HBA
2
HBD
68.2
PSA (Ų)
0.63
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 3 CHEMBL3473 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 3 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of [125I]eotaxin binding to human C-C chemokine receptor type 3 expre... | 15771462 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771462 | 10.1021/jm049530m | Unchecked | 3 |
| 15771462 | 10.1021/jm049530m | C-C chemokine receptor type 3 | 2 |
Data from ChEMBL 36 via Core Engine