Compound Detail
CHEMBL301477
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
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL301477 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDCUSWPPZCMQOD-XDIGFQIYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
738.0
MW (Da)
1.43
ALogP
8
HBA
6
HBD
205.8
PSA (Ų)
0.11
QED
2
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-K receptor CHEMBL4554 | EC50 | 9.4 | 9.4 | 0.4 | 1 |
| Substance-P receptor CHEMBL3942 | EC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-K receptor | EC50 | = | 0.4 | nM | 9.4 | Agonist activity at tachykinin receptor 2 in the rat colon muscularis mucosae | 1694545 |
| Substance-P receptor | EC50 | = | 400.0 | nM | 6.4 | Agonistic activity at tachykinin receptor 1 receptor in guinea pig ileum longitu... | 1694545 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1694545 | 10.1021/jm00169a003 | Substance-P receptor | 1 |
| 1694545 | 10.1021/jm00169a003 | Substance-K receptor | 1 |
Data from ChEMBL 36 via Core Engine