Compound Detail
CHEMBL413729
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@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL413729 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | FWFMDUHCMOVSLZ-LKYFVMGBSA-N |
4
Targets
8
Activities
2
Assay Types
1
PK Parameters
9
Publications
0
Known Names
Molecular Properties
1401.7
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.62
IC50 2 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | Ki | 8.62 | 7.71 | 2.4 | 2 |
| Kappa-type opioid receptor CHEMBL237 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 5.28 | 5.18 | 5250.0 | 2 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.15 | 5.1 | 7100.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 494.0 | nM | Cavia porcellus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12747782 | 10.1021/jm020125+ | Kappa-type opioid receptor | 4 |
| 12747782 | 10.1021/jm020125+ | Mu-type opioid receptor | 2 |
| 10893307 | 10.1021/jm990442p | Unchecked | 2 |
| 12747782 | 10.1021/jm020125+ | Delta-type opioid receptor | 1 |
| 12747782 | 10.1021/jm020125+ | Opioid receptors; mu/kappa/delta | 1 |
| 10893307 | 10.1021/jm990442p | Kappa-type opioid receptor | 1 |
| 10893307 | 10.1021/jm990442p | Mu-type opioid receptor | 1 |
| 10893307 | 10.1021/jm990442p | Delta-type opioid receptor | 1 |
| 10893307 | 10.1021/jm990442p | Opioid receptors; mu/kappa/delta | 1 |
Data from ChEMBL 36 via Core Engine