Compound Detail
CHEMBL1834234
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Basic Information
| ChEMBL ID | CHEMBL1834234 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKVAITJZJBYHQA-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
2
PK Parameters
12
Publications
0
Known Names
Molecular Properties
390.9
MW (Da)
3.43
ALogP
3
HBA
1
HBD
74.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.7
Ki 2 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Kd | 7.7 | 7.7 | 19.9 | 2 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 7.62 | 7.62 | 23.9 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 73.0 | uL.min-1.(10^6cells)-1 | Homo sapiens |
| CL | 116.0 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Kd | = | 19.95 | nM | 7.7 | Antagonist activity at human recombinant 5-HT6 receptor expressed in CHO aequosc... | 21866910 |
| 5-hydroxytryptamine receptor 6 | Kd | = | 19.95 | nM | 7.7 | Antagonist activity at human recombinant 5-HT6 receptor expressed in CHO cells a... | 26876931 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 23.9 | nM | 7.62 | Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor ... | 21866910 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 23.9 | nM | 7.62 | Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 recept... | 26876931 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21866910 | 10.1021/jm200466r | LLC-PK1 | 2 |
| 21866910 | 10.1021/jm200466r | 5-hydroxytryptamine receptor 6 | 2 |
| 21866910 | 10.1021/jm200466r | Hepatocyte | 2 |
| 26876931 | 10.1016/j.bmcl.2016.02.001 | LLC-PK1 | 2 |
| 26876931 | 10.1016/j.bmcl.2016.02.001 | 5-hydroxytryptamine receptor 6 | 2 |
| 21866910 | 10.1021/jm200466r | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 21866910 | 10.1021/jm200466r | 5-hydroxytryptamine receptor 1A | 1 |
| 21866910 | 10.1021/jm200466r | 5-hydroxytryptamine receptor 1D | 1 |
| 21866910 | 10.1021/jm200466r | 5-hydroxytryptamine receptor 2A | 1 |
| 21866910 | 10.1021/jm200466r | 5-hydroxytryptamine receptor 2C | 1 |
| 21866910 | 10.1021/jm200466r | 5-hydroxytryptamine receptor 7 | 1 |
| 21866910 | 10.1021/jm200466r | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine