Compound Detail
CHEMBL3143849
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
NCCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCc2ccccc2C1
Basic Information
| ChEMBL ID | CHEMBL3143849 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQLGWARXJRJOIZ-SZVSUXHCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
628.8
MW (Da)
3.39
ALogP
7
HBA
4
HBD
131.8
PSA (Ų)
0.15
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-K receptor CHEMBL2327 | Ki | 6.4 | 6.4 | 398.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-K receptor | Ki | = | 398.11 | nM | 6.4 | Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells | 17604625 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17604625 | 10.1016/j.bmcl.2007.06.053 | Substance-K receptor | 1 |
Data from ChEMBL 36 via Core Engine