Compound Detail
CHEMBL486030
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CC[N+]1(CC2CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1.[I-]
Basic Information
| ChEMBL ID | CHEMBL486030 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMZVFKYDLOAOJE-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1186993 |
| Active Moiety | CHEMBL1186993 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
516.5
MW (Da)
7.32
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.33
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 1 CHEMBL2413 | IC50 | 8.02 | 8.02 | 9.6 | 1 |
| C-C chemokine receptor type 3 CHEMBL3473 | IC50 | 7.03 | 7.03 | 93.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 1 | IC50 | = | 9.6 | nM | 8.02 | Antagonist activity at CCR1 assessed as inhibition of CCL3-induced chemotaxis by... | 22931505 |
| C-C chemokine receptor type 3 | IC50 | = | 93.7 | nM | 7.03 | Antagonist activity at CCR3 assessed as inhibition of CCL11-induced chemotaxis b... | 22931505 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17635911 | 10.1074/jbc.m703255200 | C-C chemokine receptor type 3 | 4 |
| 22931505 | 10.1021/jm300682j | C-C chemokine receptor type 3 | 1 |
| 22931505 | 10.1021/jm300682j | C-C chemokine receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine