Compound Detail
CHEMBL124689
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
C[N+]1(Cc2cc3c(cc2NC(=O)Nc2cccc(C#N)c2)OCO3)CCC(Cc2ccc(F)cc2)CC1.[I-]
Basic Information
| ChEMBL ID | CHEMBL124689 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIXZSGPAZVTYHY-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1180385 |
| Active Moiety | CHEMBL1180385 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
501.6
MW (Da)
5.67
ALogP
4
HBA
2
HBD
83.4
PSA (Ų)
0.43
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 3 CHEMBL3473 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 3 | IC50 | = | 2.0 | nM | 8.7 | 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 |
Data from ChEMBL 36 via Core Engine