Compound Detail
CHEMBL370082
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CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@H](Cc3ccc(F)cc3)C2)c1
Basic Information
| ChEMBL ID | CHEMBL370082 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASRDPULQBHFPGU-RWCIVJTCSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
465.6
MW (Da)
5.66
ALogP
3
HBA
2
HBD
61.4
PSA (Ų)
0.52
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.44
Ki 3 meas. best 6.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 3 CHEMBL3473 | IC50 | 9.44 | 9.02 | 0.4 | 4 |
| Unchecked CHEMBL612545 | Ki | 6.15 | 5.69 | 702.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 3 | IC50 | = | 0.364 | nM | 9.44 | Inhibition of eotaxin-induced chemotaxis of human eosinophils | 15771462 |
| C-C chemokine receptor type 3 | IC50 | = | 0.364 | nM | 9.44 | Inhibition of eotaxin-induced chemotaxis of human eosinophils | 15771462 |
| C-C chemokine receptor type 3 | IC50 | = | 2.5 | nM | 8.6 | Inhibition of [125I]eotaxin binding to human C-C chemokine receptor type 3 expre... | 15771462 |
| C-C chemokine receptor type 3 | IC50 | = | 2.5 | nM | 8.6 | Inhibition of [125I]eotaxin binding to human C-C chemokine receptor type 3 expre... | 15771462 |
| Unchecked | Ki | = | 702.0 | nM | 6.15 | Inhibitory constant for Dopamine receptor D2 | 15771462 |
| Unchecked | Ki | = | 2400.0 | nM | 5.62 | Inhibitory constant for 5-hydroxytryptamine 2C receptor | 15771462 |
| Unchecked | Ki | = | 5000.0 | nM | 5.3 | Inhibitory constant for 5-hydroxytryptamine 2A receptor | 15771462 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771462 | 10.1021/jm049530m | C-C chemokine receptor type 3 | 4 |
| 15771462 | 10.1021/jm049530m | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine