Compound Detail
CHEMBL27940
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Basic Information
| ChEMBL ID | CHEMBL27940 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVHTVHNCRZDRRG-MRXNPFEDSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
249.4
MW (Da)
3.75
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.84 | 7.84 | 14.4 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.84 | 7.84 | 14.4 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 7.42 | 7.42 | 38.3 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.7 | 6.7 | 201.0 | 2 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 14.4 | nM | 7.84 | Binding affinity was measured on cloned Human 5-hydroxytryptamine 1A receptor wh... | 10753471 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 14.4 | nM | 7.84 | In vitro displacement of [3H]8-OH-DPAT binding to rat hippocampal 5-hydroxytrypt... | 8784448 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 38.3 | nM | 7.42 | Binding affinity against Rat 5-hydroxytryptamine 7 receptor using [3H]5-HT | 10753471 |
| D(2) dopamine receptor | Ki | = | 201.0 | nM | 6.7 | Binding affinity was measured on cloned Human D2A Receptor which is labeled by [... | 10753471 |
| D(2) dopamine receptor | Ki | = | 201.0 | nM | 6.7 | Displacement of [3H]raclopride from human Dopamine receptor D2A | 8784448 |
| D(1A) dopamine receptor | Ki | = | 700.0 | nM | 6.16 | In vitro displacement of [3H]SCH-23390 binding to rat striatal Dopamine receptor... | 8784448 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10753471 | 10.1021/jm9911433 | 5-hydroxytryptamine receptor 7 | 1 |
| 10753471 | 10.1021/jm9911433 | 5-hydroxytryptamine receptor 1A | 1 |
| 10753471 | 10.1021/jm9911433 | D(2) dopamine receptor | 1 |
| 8784448 | 10.1021/jm960189i | 5-hydroxytryptamine receptor 1A | 1 |
| 8784448 | 10.1021/jm960189i | D(1A) dopamine receptor | 1 |
| 8784448 | 10.1021/jm960189i | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine