Compound Detail
CHEMBL5523416
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Basic Information
| ChEMBL ID | CHEMBL5523416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEXKBSSCTUNEBX-BGYRXZFFSA-N |
13
Targets
16
Activities
2
Assay Types
4
PK Parameters
16
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
3.68
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 12 meas. best 6.45
EC50 4 meas. best 9.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | EC50 | 9.41 | 9.095 | 0.4 | 2 |
| Delta-type opioid receptor CHEMBL236 | EC50 | 8.66 | 8.505 | 2.2 | 2 |
| Kappa-type opioid receptor CHEMBL237 | IC50 | 6.45 | 6.065 | 356.5 | 2 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.97 | 5.97 | 1060.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 5.95 | 5.95 | 1130.0 | 1 |
| Sodium channel protein type 5 subunit alpha CHEMBL1980 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | IC50 | 5.26 | 5.26 | 5450.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 5.1 | 5.1 | 8010.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | IC50 | 5.06 | 5.06 | 8700.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 5929.0 | ng.hr/g | Rattus norvegicus |
| Cmax | 3297.0 | ng/g | Rattus norvegicus |
| T1/2 | 1.35 | hr | Rattus norvegicus |
| Tmax | 0.25 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine