Compound Detail
CHEMBL222477
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Basic Information
| ChEMBL ID | CHEMBL222477 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVYNZBZCWFALNG-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
440.0
MW (Da)
5.22
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.57
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.4
EC50 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 7.4 | 7.4 | 40.1 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.29 | 7.29 | 51.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.02 | 7.02 | 96.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.52 | 6.52 | 301.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL5494 | EC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 40.1 | nM | 7.4 | Displacement of [3H]LSD from rat recombinant 5HT7 receptor expressed in HEK293 c... | 15588097 |
| D(2) dopamine receptor | Ki | = | 51.0 | nM | 7.29 | Displacement of [3H]spiroperidol from human recombinant Dopamine D2 long recepto... | 17649988 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 96.0 | nM | 7.02 | Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Wistar Han rat hippocampal ... | 15588097 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 301.0 | nM | 6.52 | Displacement of [3H]ketanserin from 5HT2A receptor in Wistar Han rat cortex memb... | 15588097 |
| 5-hydroxytryptamine receptor 7 | EC50 | = | 17000.0 | nM | 4.77 | Agonist activity at 5HT7 receptor in guinea pig ileum assessed as relaxation of ... | 17649988 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17649988 | 10.1021/jm070487n | 5-hydroxytryptamine receptor 7 | 2 |
| 15588097 | 10.1021/jm049702f | 5-hydroxytryptamine receptor 7 | 1 |
| 15588097 | 10.1021/jm049702f | 5-hydroxytryptamine receptor 1A | 1 |
| 15588097 | 10.1021/jm049702f | 5-hydroxytryptamine receptor 2A | 1 |
| 17649988 | 10.1021/jm070487n | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine