Compound Detail
CHEMBL3701187
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
Cc1ccc(C(Nc2c(Nc3cccc(C(=O)N4CCC[C@@H]4C(=O)OC(C)(C)C)c3O)c(=O)c2=O)C2(C)COC2)o1
Basic Information
| ChEMBL ID | CHEMBL3701187 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZNHUSHUOHAGBP-ICCFGIFFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
565.6
MW (Da)
3.77
ALogP
10
HBA
3
HBD
147.4
PSA (Ų)
0.21
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-X-C chemokine receptor type 2 CHEMBL2434 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| C-X-C chemokine receptor type 1 CHEMBL4029 | IC50 | 5.62 | 5.62 | 2412.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-X-C chemokine receptor type 2 | IC50 | = | 100.0 | nM | 7.0 | In Vitro Assay: The in vitro affinity of the compounds of the present invention ... | - |
| C-X-C chemokine receptor type 1 | IC50 | = | 2412.0 | nM | 5.62 | In Vitro Assay: The in vitro affinity of the compounds of the present invention ... | - |
Data from ChEMBL 36 via Core Engine