Compound Detail
CHEMBL2018864
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
O=C(CC1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(N2CCC(N3CCCCC3)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL2018864 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZWLXQMCFATWND-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
641.7
MW (Da)
6.77
ALogP
5
HBA
1
HBD
73.0
PSA (Ų)
0.31
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B1 bradykinin receptor CHEMBL4308 | Ki | 6.86 | 6.86 | 138.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B1 bradykinin receptor | Ki | = | 138.0 | nM | 6.86 | Binding affinity to human bradykinin B1 receptor | 22483585 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22483585 | 10.1016/j.bmcl.2012.03.065 | Liver microsomes | 2 |
| 22483585 | 10.1016/j.bmcl.2012.03.065 | B1 bradykinin receptor | 1 |
Data from ChEMBL 36 via Core Engine