Compound Detail
CHEMBL185693
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
CN1CCN=C1c1ccc(CCNC(=O)C[C@@H]2C(=O)Nc3ccc(Cl)cc3N2S(=O)(=O)c2ccc3ccccc3c2)cc1
Basic Information
| ChEMBL ID | CHEMBL185693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVOUBEKGFNNHEI-GDLZYMKVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
616.1
MW (Da)
4.45
ALogP
6
HBA
2
HBD
111.2
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B1 bradykinin receptor CHEMBL4308 | Ki | 10.7 | 10.7 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B1 bradykinin receptor | Ki | = | 0.02 | nM | 10.7 | Binding affinity to human Bradykinin receptor B1 over-expressed in transgenic ra... | 15546726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15546726 | 10.1016/j.bmcl.2004.09.074 | B1 bradykinin receptor | 1 |
| 15546726 | 10.1016/j.bmcl.2004.09.074 | B2 bradykinin receptor | 1 |
| 15546726 | 10.1016/j.bmcl.2004.09.074 | No relevant target | 1 |
| 15546726 | 10.1016/j.bmcl.2004.09.074 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine