Compound Detail
CHEMBL332591
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C[N+]1(Cc2cc(O)ccc2NC(=O)Nc2cccc(C#N)c2)CCC(Cc2ccccc2)CC1.[I-]
Basic Information
| ChEMBL ID | CHEMBL332591 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEJTYPBGZZSMNE-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1184106 |
| Active Moiety | CHEMBL1184106 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
455.6
MW (Da)
5.51
ALogP
3
HBA
3
HBD
85.2
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 3 CHEMBL3473 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 3 | IC50 | = | 21.0 | nM | 7.68 | Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) e... | 12166951 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12166951 | 10.1021/jm0201767 | C-C chemokine receptor type 3 | 1 |
| 12166951 | 10.1021/jm0201767 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine