Compound Detail
CHEMBL225393
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=C1C[C@@H](NC2CCOCC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1
Basic Information
| ChEMBL ID | CHEMBL225393 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOQTXNSVZQBLKS-ODRDEDCPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
664.8
MW (Da)
2.31
ALogP
6
HBA
6
HBD
153.4
PSA (Ų)
0.17
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-K receptor CHEMBL2327 | Ki | 8.1 | 8.1 | 7.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-K receptor | Ki | = | 7.943 | nM | 8.1 | Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 ce... | 15615542 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15615542 | 10.1021/jm040832y | Substance-K receptor | 2 |
Data from ChEMBL 36 via Core Engine