Compound Detail
CHEMBL2387216
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](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)NCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)C(=O)N[C@H](C(N)=O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL2387216 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTEZWFLMGFMXTK-QBJQTMLLSA-N |
4
Targets
6
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1975.4
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.85
IC50 2 meas. best 8.11
Ki 2 meas. best 9.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 9.27 | 9.27 | 0.5 | 1 |
| Mu-type opioid receptor CHEMBL270 | EC50 | 8.85 | 8.85 | 1.4 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 8.34 | 8.34 | 4.6 | 1 |
| Mu-type opioid receptor CHEMBL4354 | IC50 | 8.11 | 8.11 | 7.7 | 1 |
| Delta-type opioid receptor CHEMBL236 | EC50 | 8.08 | 8.08 | 8.3 | 1 |
| Delta-type opioid receptor CHEMBL3222 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 0.54 | nM | 9.27 | Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 ... | 23623418 |
| Mu-type opioid receptor | EC50 | = | 1.4 | nM | 8.85 | Agonist activity at rat mu opioid receptor expressed in CHO cells by [35S]GTP-ga... | 23623418 |
| Delta-type opioid receptor | Ki | = | 4.6 | nM | 8.34 | Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN... | 23623418 |
| Mu-type opioid receptor | IC50 | = | 7.7 | nM | 8.11 | Inhibition of mu opioid receptor in guinea pig ileum/longitudinal muscle with my... | 23623418 |
| Delta-type opioid receptor | EC50 | = | 8.3 | nM | 8.08 | Agonist activity at human delta opioid receptor expressed in CHO cells by [35S]G... | 23623418 |
| Delta-type opioid receptor | IC50 | = | 27.0 | nM | 7.57 | Inhibition of delta opioid receptor in mouse vas deferens assessed as inhibition... | 23623418 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23623418 | 10.1016/j.bmcl.2013.03.065 | Mu-type opioid receptor | 4 |
| 23623418 | 10.1016/j.bmcl.2013.03.065 | Delta-type opioid receptor | 4 |
| 23623418 | 10.1016/j.bmcl.2013.03.065 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine