Compound Detail
CHEMBL5757634
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Basic Information
| ChEMBL ID | CHEMBL5757634 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFICLAAKNDUZRP-QPTUXGOLSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
4.10
ALogP
4
HBA
1
HBD
43.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 10.4
IC50 1 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | EC50 | 10.4 | 10.4 | 0.0 | 1 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | EC50 | = | 0.04 | nM | 10.4 | Detection of MOR cAMP Agonist Activity: The experiment was performed using a cAM... | - |
| Cytochrome P450 2D6 | IC50 | = | 5300.0 | nM | 5.28 | Inhibition for Cytochrome P450 Isoenzymes: To test the inhibitory effects of the... | - |
Data from ChEMBL 36 via Core Engine