Compound Detail
CHEMBL2372339
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CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(N)=O)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL2372339 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | JRJICHIAKDIPMB-YFXPIYGVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
740.9
MW (Da)
-0.60
ALogP
9
HBA
8
HBD
257.7
PSA (Ų)
0.07
QED
2
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL4027 | Ki | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | Ki | = | 450.0 | nM | 6.35 | Ability to inhibit the binding of [125I]physalaemin to the SP receptors in rat t... | 2441057 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2441057 | 10.1021/jm00391a046 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine