Compound Detail
CHEMBL44965
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@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCNC(N)=O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL44965 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ULAOEVZLPBIGAQ-ABYGYWHVSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
510.7
MW (Da)
4.85
ALogP
4
HBA
4
HBD
122.5
PSA (Ų)
0.26
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-K receptor CHEMBL4429 | IC50 | 7.37 | 7.305 | 43.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-K receptor | IC50 | = | 43.0 | nM | 7.37 | Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cel... | - |
| Neuromedin-K receptor | IC50 | = | 57.0 | nM | 7.24 | Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned ... | 8648606 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8648606 | 10.1021/jm950892r | Neuromedin-K receptor | 1 |
| - | 10.1016/0960-894X(95)00313-I | Neuromedin-K receptor | 1 |
Data from ChEMBL 36 via Core Engine