Compound Detail
CHEMBL5219510
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O=C(NCCc1ccccc1)[C@H]1CCN(C(=O)Cc2ccc(O)cc2)[C@@H]1C(=O)NCCc1c[nH]c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL5219510 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUPKEWKEPDKNGK-FIBWVYCGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
538.6
MW (Da)
3.35
ALogP
4
HBA
4
HBD
114.5
PSA (Ų)
0.25
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 6.09 | 6.09 | 820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 820.0 | nM | 6.09 | Displacement of [3H]DAMGO from human cloned mu-opioid receptor by radioligand bi... | 36206553 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36206553 | 10.1021/acs.jmedchem.2c00969 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine