Compound Detail
CHEMBL3264438
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CC(C)CC(=O)N1Cc2cc(O)ccc2C[C@@H]1C(=O)N[C@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)C(C)C
Basic Information
| ChEMBL ID | CHEMBL3264438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMAJDUVPOGSLSQ-ANYBCVGMSA-N |
0
Targets
0
Activities
0
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
549.8
MW (Da)
4.84
ALogP
5
HBA
3
HBD
93.1
PSA (Ų)
0.44
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 0.16 | nM | Cavia porcellus |
| Ke | 29.0 | nM | Cavia porcellus |
| Ke | 628.0 | 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