Compound Detail
CHEMBL238181
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
CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL238181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FAIHNFWWIAKTEP-RPWUZVMVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
562.7
MW (Da)
4.08
ALogP
5
HBA
4
HBD
130.4
PSA (Ų)
0.28
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-K receptor CHEMBL2327 | Ki | 7.15 | 7.15 | 70.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-K receptor | Ki | = | 70.79 | nM | 7.15 | 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