Compound Detail
CHEMBL85602
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Basic Information
| ChEMBL ID | CHEMBL85602 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BETVPTZOBIULKH-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
380.6
MW (Da)
4.53
ALogP
3
HBA
0
HBD
23.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.01 | 8.01 | 9.7 | 3 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.11 | 6.11 | 776.2 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 6.02 | 6.02 | 955.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 9.772 | nM | 8.01 | Ability to displace the radioligand [3H]5-carboxyamidotryptamine ([3H]5-CT) from... | 12182857 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 9.772 | nM | 8.01 | Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO ce... | 18361484 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 9.7 | nM | 8.01 | Binding affinity to 5-HT7 receptor (unknown origin) | 35939391 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 776.25 | nM | 6.11 | Ability to displace the radioligand [3H]-8-OH-DPAT from human 5-hydroxytryptamin... | 12182857 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 954.99 | nM | 6.02 | Ability to displace the radioligand [3H]5-carboximidotryptamine ([3H]-ketanserin... | 12182857 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12182857 | 10.1016/s0960-894x(02)00485-7 | 5-hydroxytryptamine receptor 7 | 1 |
| 12182857 | 10.1016/s0960-894x(02)00485-7 | Serotonin 2 (5-HT2) receptor | 1 |
| 12182857 | 10.1016/s0960-894x(02)00485-7 | 5-hydroxytryptamine receptor 1A | 1 |
| 12182857 | 10.1016/s0960-894x(02)00485-7 | 5-hydroxytryptamine receptor 1B | 1 |
| 12182857 | 10.1016/s0960-894x(02)00485-7 | 5-hydroxytryptamine receptor 2C | 1 |
| 12182857 | 10.1016/s0960-894x(02)00485-7 | Serotonin 3 receptor (5HT3) | 1 |
| 12182857 | 10.1016/s0960-894x(02)00485-7 | 5-hydroxytryptamine receptor 4 | 1 |
| 12182857 | 10.1016/s0960-894x(02)00485-7 | 5-hydroxytryptamine receptor 6 | 1 |
| 18361484 | 10.1021/jm070279v | 5-hydroxytryptamine receptor 7 | 1 |
| 35939391 | 10.1021/acs.jmedchem.2c00633 | 5-hydroxytryptamine receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine