Compound Detail
CHEMBL4095111
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
CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O
Basic Information
| ChEMBL ID | CHEMBL4095111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UIRWGVLTPPSGEN-NDBXHCKUSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
612.8
MW (Da)
-0.18
ALogP
8
HBA
6
HBD
196.9
PSA (Ų)
0.16
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptor, delta 1b CHEMBL4105711 | Ki | 6.59 | 6.59 | 256.4 | 1 |
| Mu opioid receptor-like OR2 CHEMBL3611961 | Ki | 6.57 | 6.57 | 269.0 | 1 |
| Opioid receptor homologue CHEMBL4105897 | Ki | 6.25 | 6.25 | 565.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid receptor, delta 1b | Ki | = | 256.4 | nM | 6.59 | Displacement of [3H]DPN from zebrafish delta 1b opioid receptor expressed in HEK... | 28284867 |
| Mu opioid receptor-like OR2 | Ki | = | 269.0 | nM | 6.57 | Displacement of [3H]DPN from zebrafish mu opioid receptor expressed in HEK293 ce... | 28284867 |
| Opioid receptor homologue | Ki | = | 565.8 | nM | 6.25 | Displacement of [3H]DPN from zebrafish delta 1a opioid receptor expressed in HEK... | 28284867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28284867 | 10.1016/j.bmc.2017.02.052 | Mu opioid receptor-like OR2 | 1 |
| 28284867 | 10.1016/j.bmc.2017.02.052 | Opioid receptor homologue | 1 |
| 28284867 | 10.1016/j.bmc.2017.02.052 | Opioid receptor, delta 1b | 1 |
Data from ChEMBL 36 via Core Engine