Compound Detail
CHEMBL60377
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
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(=O)NCC(=O)NCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL60377 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | KKXZNPZWFWSTFC-FWEHEUNISA-N |
4
Targets
4
Activities
2
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
740.8
MW (Da)
-2.30
ALogP
10
HBA
10
HBD
301.2
PSA (Ų)
0.06
QED
2
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.21
Ki 2 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL4354 | Ki | 7.28 | 7.28 | 52.9 | 1 |
| Mus musculus CHEMBL375 | IC50 | 7.21 | 7.21 | 61.8 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 7.06 | 7.06 | 87.8 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 6.22 | 6.22 | 597.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 2.32 | nM | Cavia porcellus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 52.9 | nM | 7.28 | Binding affinity of Opioid receptor mu 1 by the displacement of mu-selective [3H... | 2444704 |
| Mus musculus | IC50 | = | 61.8 | nM | 7.21 | Opioid agonist potencies was determined by mouse vas deferens (MVD) | 2444704 |
| Delta-type opioid receptor | Ki | = | 87.8 | nM | 7.06 | Binding affinity of Opioid receptor delta 1 by the displacement of delta-selecti... | 2444704 |
| Cavia porcellus | IC50 | = | 597.0 | nM | 6.22 | Opioid agonist potencies was determined by electrically stimulated guinea pig il... | 2444704 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2444704 | 10.1021/jm00394a010 | Cavia porcellus | 2 |
| 2444704 | 10.1021/jm00394a010 | Mus musculus | 2 |
| 2444704 | 10.1021/jm00394a010 | Mu-type opioid receptor | 1 |
| 2444704 | 10.1021/jm00394a010 | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine