Compound Detail
CHEMBL299164
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CCCN1C(=O)C(NC(=O)Nc2ccc(N3CCN(c4cccnc4)CC3)cc2)N=C(C2CCCCC2)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL299164 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIHOVEHIRAAXQV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
579.8
MW (Da)
5.68
ALogP
6
HBA
2
HBD
93.2
PSA (Ų)
0.38
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B1 bradykinin receptor CHEMBL4308 | Ki | 7.07 | 7.07 | 85.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B1 bradykinin receptor | Ki | = | 85.0 | nM | 7.07 | Inhibition of human bradykinin B1 receptor | 12723943 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12723943 | 10.1021/jm034020y | B1 bradykinin receptor | 1 |
Data from ChEMBL 36 via Core Engine