Compound Detail
CHEMBL1767164
GSK-1004723 🧪 Phase II
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🧪 Phase II
O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1
Basic Information
| ChEMBL ID | CHEMBL1767164 |
| Name | GSK-1004723 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | YANGEESWIGIKOP-UUWRZZSWSA-N |
9
Targets
24
Activities
3
Assay Types
6
PK Parameters
20
Publications
2
Known Names
2
Indications
2
Mechanisms
Molecular Properties
641.3
MW (Da)
7.77
ALogP
6
HBA
0
HBD
50.6
PSA (Ų)
0.13
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Histamine H3 receptor antagonist | ANTAGONIST | Histamine H3 receptor | ✓ | ✓ |
| Histamine H1 receptor antagonist | ANTAGONIST | Histamine H1 receptor | ✓ | ✓ |
Indications
Rhinitis, Allergic, Seasonal Rhinitis, Allergic, Seasonal
Activity Summary
Ki 14 meas. best 9.6
IC50 7 meas. best 7.4
Kd 3 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 9.6 | 9.6 | 0.3 | 4 |
| Histamine H1 receptor CHEMBL231 | Kd | 9.1 | 9.1 | 0.8 | 3 |
| Histamine H1 receptor CHEMBL231 | Ki | 8.0 | 7.95 | 10.0 | 4 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 7.5 | 7.5 | 31.6 | 3 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 7.4 | 7.4 | 39.8 | 3 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 7.3 | 7.3 | 50.1 | 3 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Histamine H2 receptor CHEMBL1941 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Histamine H4 receptor CHEMBL3759 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 27.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 30.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 19.0 | % | Canis lupus familiaris |
| F | 4.0 | % | Rattus norvegicus |
| T1/2 | 2.2 | hr | Rattus norvegicus |
| T1/2 | 9.4 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21381763 | 10.1021/jm1013874 | Canis familiaris | 5 |
| 21381763 | 10.1021/jm1013874 | Rattus norvegicus | 5 |
| 27866818 | 10.1016/j.bmcl.2016.11.022 | Histamine H1 receptor | 4 |
| 21381763 | 10.1021/jm1013874 | Histamine H1 receptor | 3 |
| 22985961 | 10.1016/j.bmc.2012.08.032 | Histamine H1 receptor | 2 |
| 21381763 | 10.1021/jm1013874 | Cytochrome P450 3A4 | 2 |
| 21381763 | 10.1021/jm1013874 | Cytochrome P450 2D6 | 2 |
| 21381763 | 10.1021/jm1013874 | Liver microsomes | 2 |
| 21381763 | 10.1021/jm1013874 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
| 21381763 | 10.1021/jm1013874 | Liver | 1 |
| 21381763 | 10.1021/jm1013874 | Alpha-1B adrenergic receptor | 1 |
| 21381763 | 10.1021/jm1013874 | Histamine H2 receptor | 1 |
| 27866818 | 10.1016/j.bmcl.2016.11.022 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 21381763 | 10.1021/jm1013874 | Heart | 1 |
| 21381763 | 10.1021/jm1013874 | Hepatocyte | 1 |
| 21381763 | 10.1021/jm1013874 | ADMET | 1 |
| 21381763 | 10.1021/jm1013874 | Nucleic Acid | 1 |
| 21381763 | 10.1021/jm1013874 | Cytochrome P450 1A2 | 1 |
| 21381763 | 10.1021/jm1013874 | Cytochrome P450 2C19 | 1 |
| 21381763 | 10.1021/jm1013874 | Cytochrome P450 2C9 | 1 |
Data from ChEMBL 36 via Core Engine