Compound Detail
CHEMBL489057
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CN(C(=O)c1ccc2ccccc2c1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
Basic Information
| ChEMBL ID | CHEMBL489057 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHRFRCCOWXEVBM-RQZMOBKGSA-N |
0
Targets
0
Activities
0
Assay Types
3
PK Parameters
7
Publications
0
Known Names
Molecular Properties
510.6
MW (Da)
4.25
ALogP
5
HBA
2
HBD
73.2
PSA (Ų)
0.55
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | - | - | Mus musculus |
| Ke | - | - | Mus musculus |
| Ke | - | - | Mus musculus |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18829333 | 10.1016/j.bmc.2008.09.011 | Kappa-type opioid receptor | 2 |
| 18829333 | 10.1016/j.bmc.2008.09.011 | Mus musculus | 2 |
| 22136373 | 10.1021/jm200902v | Mus musculus | 2 |
| 18829333 | 10.1016/j.bmc.2008.09.011 | Mu-type opioid receptor | 1 |
| 18829333 | 10.1016/j.bmc.2008.09.011 | Delta-type opioid receptor | 1 |
| 22136373 | 10.1021/jm200902v | Opioid receptors; mu & kappa | 1 |
| 22136373 | 10.1021/jm200902v | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine