Compound Detail
CHEMBL180386
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Basic Information
| ChEMBL ID | CHEMBL180386 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSNDLIKCFHLFKO-JTQLQIEISA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
209.2
MW (Da)
0.96
ALogP
3
HBA
3
HBD
83.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.33 | 4.33 | 46500.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 5.0 | hr | Mus musculus |
| T1/2 | 5.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 46500.0 | nM | 4.33 | Binding affinity for rat brain opioid receptor delta 1 | 15664820 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15664820 | 10.1016/j.bmcl.2004.11.040 | Unchecked | 3 |
| 34995453 | 10.1021/acs.jmedchem.0c01915 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine