Compound Detail
CHEMBL156128
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CC(=O)NC(C(=O)N[C@H](Cc1cc2ccccc2n1C(C)=O)C(=O)N1C(C(=O)N(C)Cc2ccccc2)CC2CCCCC21)C(C)O
Basic Information
| ChEMBL ID | CHEMBL156128 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKLJHVZDGRSRNQ-PUYAWPFOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
643.8
MW (Da)
3.03
ALogP
7
HBA
3
HBD
141.1
PSA (Ų)
0.31
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL3942 | Kd | 9.3 | 9.3 | 0.5 | 1 |
| Substance-K receptor CHEMBL4554 | Kd | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | Kd | = | 0.5012 | nM | 9.3 | Antagonistic activity against Tachykinin receptor 1 was determined in the guinea... | 9046350 |
| Substance-K receptor | Kd | = | 3.981 | nM | 8.4 | Antagonistic activity against Tachykinin receptor 2 was determined in the rat co... | 9046350 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9046350 | 10.1021/jm960213s | Substance-P receptor | 1 |
| 9046350 | 10.1021/jm960213s | Substance-K receptor | 1 |
Data from ChEMBL 36 via Core Engine