Compound Detail
CHEMBL2310917
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C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C2(OC)C=C[C@@]3(C[C@@H]2N)[C@H]1C5.O=C(O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2310917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGKDOQBYXCYXMT-ISQFUXSMSA-N |
| Parent Compound | CHEMBL2364979 |
| Active Moiety | CHEMBL2364979 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
366.5
MW (Da)
1.88
ALogP
5
HBA
2
HBD
68.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptor CHEMBL2094129 | EC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid receptor | EC50 | = | 50.0 | nM | 7.3 | Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptor... | 3023609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3023609 | 10.1021/jm00161a002 | Opioid receptor | 1 |
| 3023609 | 10.1021/jm00161a002 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine