Compound Detail
CHEMBL361491
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(=O)OCC1OC(SC2C=C[C@H]3[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4C)[C@H]2O6)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
Basic Information
| ChEMBL ID | CHEMBL361491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGVNKCIJORHOQN-LNWTWIFDSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
631.7
MW (Da)
2.02
ALogP
13
HBA
1
HBD
147.1
PSA (Ų)
0.27
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.11 | 4.91 | 7800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 7800.0 | nM | 5.11 | Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 | 15509180 |
| Unchecked | Ki | = | 19500.0 | nM | 4.71 | Inhibition of [3H]DPDPE binding to Opioid receptor delta 1 | 15509180 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15509180 | 10.1021/jm049554t | Unchecked | 18 |
| 15509180 | 10.1021/jm049554t | Opioid receptors; mu & delta | 2 |
| 15509180 | 10.1021/jm049554t | Opioid receptors; mu & kappa | 2 |
Data from ChEMBL 36 via Core Engine