Compound Detail
CHEMBL5934477
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Basic Information
| ChEMBL ID | CHEMBL5934477 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDBYCIGWZXGKPW-DHIUTWEWSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
3.92
ALogP
4
HBA
1
HBD
43.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.73
EC50 1 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | EC50 | 10.0 | 10.0 | 0.1 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.73 | 4.73 | 18800.0 | 1 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 4.71 | 4.71 | 19300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | EC50 | = | 0.1 | nM | 10.0 | Detection of MOR cAMP Agonist Activity: The experiment was performed using a cAM... | - |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 18800.0 | nM | 4.73 | Testing of Effects on hERG Potassium Channels: To test the blocking effects of t... | - |
| Cytochrome P450 2D6 | IC50 | = | 19300.0 | nM | 4.71 | Inhibition for Cytochrome P450 Isoenzymes: To test the inhibitory effects of the... | - |
Data from ChEMBL 36 via Core Engine