Compound Detail
CHEMBL26688
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Basic Information
| ChEMBL ID | CHEMBL26688 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVKOHSCTEHZRRT-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
177.2
MW (Da)
1.51
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.28
EC50 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.28 | 7.0275 | 53.0 | 4 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | Ki | 6.04 | 6.04 | 902.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 53.0 | nM | 7.28 | Binding affinity at [3H]8-OH-DPAT-Labeled 5-hydroxytryptamine 1A receptor sites ... | 2521252 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 53.0 | nM | 7.28 | Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in rat hippocampal membranes | 28244748 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 158.0 | nM | 6.8 | Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A recept... | - |
| 5-hydroxytryptamine receptor 1A | Ki | = | 177.83 | nM | 6.75 | Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) r... | 8568799 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 902.0 | nM | 6.04 | Binding affinity against 5-hydroxytryptamine 1B receptor in rat striatal membran... | - |
| Unchecked | EC50 | = | 1700.0 | nM | 5.77 | Alpha-1 adrenergic receptor activation causing vasoconstriction in the isolated ... | 6120238 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2521252 | 10.1021/jm00121a045 | 5-hydroxytryptamine receptor 1A | 2 |
| - | 10.1016/S0960-894X(01)81009-X | 5-hydroxytryptamine receptor 1A | 1 |
| - | 10.1016/S0960-894X(01)81009-X | 5-hydroxytryptamine receptor 1B | 1 |
| 2913308 | 10.1021/jm00122a032 | Phenylethanolamine N-methyltransferase | 1 |
| 8568799 | 10.1021/jm950410b | 5-hydroxytryptamine receptor 1A | 1 |
| 6120238 | 10.1021/jm00344a009 | Unchecked | 1 |
| 6120238 | 10.1021/jm00344a009 | Adrenergic receptor alpha-1 | 1 |
| 28244748 | 10.1021/acs.jmedchem.7b00085 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine