Compound Detail
CHEMBL165627
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NS(=O)(=O)c1ccc(N/N=C(/S)NC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1
Basic Information
| ChEMBL ID | CHEMBL165627 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVYOUFPKIWPHIM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
3.23
ALogP
6
HBA
4
HBD
139.7
PSA (Ų)
0.14
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B2 bradykinin receptor CHEMBL2501 | Ki | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B2 bradykinin receptor | Ki | = | 4.0 | nM | 8.4 | Inhibition of binding of [3H]BK to rat bradykinin B2 receptor expressed in NG108... | 10715143 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10715143 | 10.1021/jm991155o | B2 bradykinin receptor | 1 |
Data from ChEMBL 36 via Core Engine