Compound Detail
CHEMBL243280
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
O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1ccc(I)cc1
Basic Information
| ChEMBL ID | CHEMBL243280 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJWRILQRCUFJMC-RUZDIDTESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
632.5
MW (Da)
2.90
ALogP
5
HBA
3
HBD
99.8
PSA (Ų)
0.26
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-K receptor CHEMBL2327 | Ki | 7.83 | 7.83 | 14.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-K receptor | Ki | = | 14.79 | nM | 7.83 | Displacement of [125I]neurokinin A from human recombinant NK2 receptor | 17850056 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17850056 | 10.1021/jm070289w | Substance-K receptor | 1 |
Data from ChEMBL 36 via Core Engine