Compound Detail
CHEMBL3249715
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
Cl.N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
Basic Information
| ChEMBL ID | CHEMBL3249715 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWHNEYGKXXZAGD-AWGDMYCFSA-N |
| Parent Compound | CHEMBL3303012 |
| Active Moiety | CHEMBL3303012 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
1.28
ALogP
5
HBA
3
HBD
79.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptors; mu/kappa/delta CHEMBL2095181 | IC50 | 8.54 | 8.295 | 2.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid receptors; mu/kappa/delta | IC50 | = | 2.9 | nM | 8.54 | Displacement of [3H] naloxone from opioid receptor (unknown origin) | 894682 |
| Opioid receptors; mu/kappa/delta | IC50 | = | 9.0 | nM | 8.05 | Displacement of [3H] naloxone from opioid receptor (unknown origin) in presence ... | 894682 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 894682 | 10.1021/jm00218a023 | Opioid receptors; mu/kappa/delta | 3 |
| 894682 | 10.1021/jm00218a023 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine