Compound Detail
CHEMBL282734
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Basic Information
| ChEMBL ID | CHEMBL282734 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQWOZMUBHQPFFF-UHFFFAOYSA-N |
4
Targets
4
Activities
3
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
195.3
MW (Da)
1.59
ALogP
3
HBA
1
HBD
44.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 5.6
IC50 1 meas. best 6.22
Ki 1 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Serotonin (5-HT) receptor CHEMBL2094123 | Kd | 5.6 | 5.6 | 2511.9 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL323 | Kd | 5.6 | 5.6 | 2511.9 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 5.35 | 5.35 | 4475.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 600.0 | nM | 6.22 | Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial ... | 15801832 |
| Serotonin (5-HT) receptor | Kd | = | 2511.89 | nM | 5.6 | Affinity against 5-hydroxytryptamine receptors in rat fundus model | 7365744 |
| 5-hydroxytryptamine receptor 2B | Kd | = | 2511.89 | nM | 5.6 | Affinity against 5-hydroxytryptamine 2B receptor in the isolated rat stomach fun... | 7310818 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 4475.0 | nM | 5.35 | Binding affinity towards 5-hydroxytryptamine 1C receptor from frontal cortical r... | 1542100 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1542100 | 10.1021/jm00082a014 | Serotonin 2 (5-HT2) receptor | 2 |
| 2299636 | 10.1021/jm00164a036 | Homo sapiens | 2 |
| 7365744 | 10.1021/jm00177a017 | Serotonin (5-HT) receptor | 1 |
| 1542100 | 10.1021/jm00082a014 | 5-hydroxytryptamine receptor 2C | 1 |
| 2299636 | 10.1021/jm00164a036 | Rattus norvegicus | 1 |
| 7310818 | 10.1021/jm00144a009 | No relevant target | 1 |
| 7310818 | 10.1021/jm00144a009 | Homo sapiens | 1 |
| 7310818 | 10.1021/jm00144a009 | Oryctolagus cuniculus | 1 |
| 7310818 | 10.1021/jm00144a009 | 5-hydroxytryptamine receptor 2B | 1 |
| 7310818 | 10.1021/jm00144a009 | Unchecked | 1 |
| 15801832 | 10.1021/jm0493109 | Amine oxidase [flavin-containing] A | 1 |
| 592329 | 10.1021/jm00222a019 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine