Compound Detail
CHEMBL128697
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
CC(C(=O)Nc1ccc(CCCC(=O)O)cc1)c1ccc2cc(OCc3ccc4ccc(Cl)cc4n3)ccc2c1
Basic Information
| ChEMBL ID | CHEMBL128697 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTVWKLTWEJHHAM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
553.1
MW (Da)
7.77
ALogP
4
HBA
2
HBD
88.5
PSA (Ų)
0.18
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 CHEMBL5645 | Ki | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 | Ki | = | 190.0 | nM | 6.72 | In vitro binding affinity towards Cysteinyl leukotriene D4 receptor by using [3H... | 10669566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10669566 | 10.1021/jm990387k | Cysteinyl leukotriene receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine