Compound Detail
CHEMBL1907653
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CN(C)CCN(C)CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(NNC(=O)NC(c2ccccc2)c2ccccc2)c(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL1907653 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCXZWRRTUALXAQ-LJAQVGFWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
656.2
MW (Da)
3.52
ALogP
7
HBA
4
HBD
126.1
PSA (Ų)
0.20
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B2 bradykinin receptor CHEMBL2501 | Ki | 8.14 | 8.14 | 7.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B2 bradykinin receptor | Ki | = | 7.3 | nM | 8.14 | Inhibition of specific binding of [3H]-BK (1 nM) to rat Bradykinin receptor B2 b... | 12014954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12014954 | 10.1021/jm0111088 | B2 bradykinin receptor | 1 |
Data from ChEMBL 36 via Core Engine