Compound Detail
CHEMBL569185
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Basic Information
| ChEMBL ID | CHEMBL569185 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFFIHDXPUGXVGG-IBGZPJMESA-N |
8
Targets
9
Activities
1
Assay Types
11
PK Parameters
19
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
2.19
ALogP
5
HBA
1
HBD
88.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 5 CHEMBL4306 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
| Potassium voltage-gated channel subfamily A member 3 CHEMBL4633 | IC50 | 5.85 | 5.85 | 1410.0 | 1 |
| Potassium voltage-gated channel subfamily A member 1 CHEMBL2309 | IC50 | 5.58 | 5.58 | 2660.0 | 1 |
| A-type voltage-gated potassium channel KCND3 CHEMBL1964 | IC50 | 5.41 | 5.41 | 3870.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.82 | 4.82 | 15100.0 | 1 |
| Voltage-dependent L-type calcium channel subunit alpha-1D CHEMBL4138 | IC50 | 4.63 | 4.63 | 23400.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 4.43 | 4.43 | 37000.0 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 4.33 | 4.33 | 47000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 2412.0 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 1989.0 | ng.hr.mL-1 | Canis lupus familiaris |
| CL | 23.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 21.88 | uL.min-1.(10^6cells)-1 | Homo sapiens |
| Cmax | 1118.0 | nM | Canis lupus familiaris |
| F | 82.0 | % | Canis lupus familiaris |
| T1/2 | 0.5 | hr | Homo sapiens |
| T1/2 | 0.1833 | hr | Canis lupus familiaris |
| T1/2 | 1.2 | hr | Canis lupus familiaris |
| T1/2 | 1.7 | hr | Canis lupus familiaris |
| Tmax | 1.0 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19888755 | 10.1021/jm901042m | Canis familiaris | 20 |
| - | 10.6019/CHEMBL3301361 | ADMET | 4 |
| 19888755 | 10.1021/jm901042m | Plasma | 2 |
| 19888755 | 10.1021/jm901042m | Caco-2 | 2 |
| 19888755 | 10.1021/jm901042m | Cytochrome P450 3A4 | 2 |
| 19888755 | 10.1021/jm901042m | Potassium voltage-gated channel subfamily A member 3 | 1 |
| 19888755 | 10.1021/jm901042m | Unchecked | 1 |
| 19888755 | 10.1021/jm901042m | Cytochrome P450 2C9 | 1 |
| 19888755 | 10.1021/jm901042m | Cytochrome P450 2D6 | 1 |
| 19888755 | 10.1021/jm901042m | ADMET | 1 |
| 19888755 | 10.1021/jm901042m | A-type voltage-gated potassium channel KCND3 | 1 |
| 19888755 | 10.1021/jm901042m | Potassium voltage-gated channel subfamily A member 1 | 1 |
| 19888755 | 10.1021/jm901042m | Voltage-dependent L-type calcium channel subunit alpha-1C | 1 |
| 19888755 | 10.1021/jm901042m | Voltage-dependent L-type calcium channel subunit alpha-1D | 1 |
| 19888755 | 10.1021/jm901042m | Sodium channel protein type 5 subunit alpha | 1 |
| 19888755 | 10.1021/jm901042m | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 19888755 | 10.1021/jm901042m | Potassium voltage-gated channel subfamily A member 5 | 1 |
| 19888755 | 10.1021/jm901042m | Liver microsomes | 1 |
| 19888755 | 10.1021/jm901042m | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine