Compound Detail
CHEMBL423794
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
C[C@H](c1ccccc1)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL423794 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | GHCQVWCTWHWODK-GYZIEVATSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
585.7
MW (Da)
1.75
ALogP
6
HBA
5
HBD
167.8
PSA (Ų)
0.22
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 7.46 | 7.1333 | 35.0 | 3 |
| Kappa-type opioid receptor CHEMBL3614 | Ki | 7.25 | 7.25 | 55.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 35.0 | nM | 7.46 | Displacement of [3H]endomorphin-2 from Opioid receptor mu 1 of rat brain membran... | 14736254 |
| Kappa-type opioid receptor | Ki | = | 55.7 | nM | 7.25 | Displacement of [3H]dynorphin A from Opioid receptor kappa 1 of rat brain membra... | 14736254 |
| Mu-type opioid receptor | Ki | = | 106.0 | nM | 6.97 | Displacement of [3H]DAMGO from Opioid receptor mu 1 of rat brain membranes | 14736254 |
| Mu-type opioid receptor | Ki | = | 106.0 | nM | 6.97 | Inhibition of DAMGO (Tyr-[D-Ala]-Gly-[NMe-Phe]-Gly-ol) binding to rat brain mu o... | 15857130 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14736254 | 10.1021/jm0310028 | Mu-type opioid receptor | 2 |
| 14736254 | 10.1021/jm0310028 | Rattus norvegicus | 2 |
| 14736254 | 10.1021/jm0310028 | Delta-type opioid receptor | 1 |
| 14736254 | 10.1021/jm0310028 | Kappa-type opioid receptor | 1 |
| 15857130 | 10.1021/jm049157i | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine