Compound Detail
CHEMBL156186
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CC(=O)NC(C(=O)N[C@H](Cc1cc2ccccc2n1C(C)=O)C(=O)NC(Cc1ccccc1)C(=O)N(C)Cc1ccccc1)C(C)O
Basic Information
| ChEMBL ID | CHEMBL156186 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POEPROHXWZELFO-XNWJXSQGSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
639.8
MW (Da)
2.60
ALogP
7
HBA
4
HBD
149.8
PSA (Ų)
0.18
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL3942 | Kd | 8.0 | 8.0 | 10.0 | 1 |
| Substance-K receptor CHEMBL4554 | Kd | 7.0 | 7.0 | 100.0 | 1 |
| Neuromedin-K receptor CHEMBL3154 | Kd | 5.8 | 5.8 | 1584.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | Kd | = | 10.0 | nM | 8.0 | Antagonistic activity against Tachykinin receptor 1 was determined in the guinea... | 9046350 |
| Substance-K receptor | Kd | = | 100.0 | nM | 7.0 | Antagonistic activity against Tachykinin receptor 2 was determined in the rat co... | 9046350 |
| Neuromedin-K receptor | Kd | = | 1584.89 | nM | 5.8 | Antagonistic activity against Tachykinin receptor 3 was determined in the rat ev... | 9046350 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9046350 | 10.1021/jm960213s | Substance-P receptor | 1 |
| 9046350 | 10.1021/jm960213s | Substance-K receptor | 1 |
| 9046350 | 10.1021/jm960213s | Neuromedin-K receptor | 1 |
Data from ChEMBL 36 via Core Engine