Compound Detail
CHEMBL3958404
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Basic Information
| ChEMBL ID | CHEMBL3958404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKFASWFMDDJHAC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
3.90
ALogP
3
HBA
3
HBD
51.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 8.57 | 8.57 | 2.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 2.7 | nM | 8.57 | Binding Assay: The receptor affinity for the human mu-opiate receptor was determ... | - |
Data from ChEMBL 36 via Core Engine