Compound Detail
CHEMBL440019
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Basic Information
| ChEMBL ID | CHEMBL440019 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUHXSUYCFDSMSW-NSHDSACASA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
-0.09
ALogP
4
HBA
4
HBD
101.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.75 | 6.185 | 180.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 180.0 | nM | 6.75 | Binding affinity for rat brain opioid receptor mu 1 | 15664820 |
| Unchecked | Ki | = | 2410.0 | nM | 5.62 | 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 |
Data from ChEMBL 36 via Core Engine