Compound Detail
CHEMBL3264437
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CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H](N)Cc1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL3264437 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMQBJNPBIUOLQP-OTBYNZDMSA-N |
0
Targets
0
Activities
0
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
453.6
MW (Da)
3.41
ALogP
5
HBA
4
HBD
98.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 44.6 | nM | Cavia porcellus |
| Ke | 12.0 | nM | Cavia porcellus |
| Ke | 334.0 | nM | Cavia porcellus |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24690494 | 10.1016/j.bmcl.2014.03.040 | Kappa-type opioid receptor | 1 |
| 24690494 | 10.1016/j.bmcl.2014.03.040 | Mu-type opioid receptor | 1 |
| 24690494 | 10.1016/j.bmcl.2014.03.040 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine