Compound Detail
CHEMBL278849
L-709400 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(=O)N[C@@H](Cc1csc2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL278849 |
| Name | L-709400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXEVSMSRSONRKR-SFHVURJKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
489.4
MW (Da)
5.73
ALogP
4
HBA
1
HBD
55.4
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 8.1 | 7.96 | 8.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 8.0 | nM | 8.1 | Binding affinity towards cloned neurokinin 1 receptor, based on the displacement... | 7513763 |
| Substance-P receptor | IC50 | = | 15.14 | nM | 7.82 | Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed... | 9733486 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7513763 | 10.1021/jm00035a006 | Substance-P receptor | 1 |
| 7513763 | 10.1021/jm00035a006 | Substance-K receptor | 1 |
| 7513763 | 10.1021/jm00035a006 | Neuromedin-K receptor | 1 |
| 9733486 | 10.1021/jm9700171 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine