Compound Detail
CHEMBL162449
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Basic Information
| ChEMBL ID | CHEMBL162449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUULIVZIVGZUBG-NWDGAFQWSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
247.3
MW (Da)
2.57
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 7.12 | 7.12 | 75.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | IC50 | 6.08 | 6.08 | 825.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL4744 | IC50 | 6.02 | 6.02 | 946.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | IC50 | = | 42.0 | nM | 7.38 | Concentration necessary to achieve half maximal inhibition of [3H]ketanserin bin... | 2537429 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 75.0 | nM | 7.12 | Concentration necessary to achieve half maximal inhibition of [3H]8-Hydroxy-2-(d... | 2537429 |
| 5-hydroxytryptamine receptor 1B | IC50 | = | 825.0 | nM | 6.08 | Concentration necessary to achieve half maximal inhibition of [125I]- Iodocyanop... | 2537429 |
| Alpha-2A adrenergic receptor | IC50 | = | 946.0 | nM | 6.02 | Concentration necessary to achieve half maximal inhibition of [3H]clonidine bind... | 2537429 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2537429 | 10.1021/jm00123a039 | Dopamine receptor | 2 |
| 2537429 | 10.1021/jm00123a039 | Alpha-2A adrenergic receptor | 1 |
| 2537429 | 10.1021/jm00123a039 | 5-hydroxytryptamine receptor 1A | 1 |
| 2537429 | 10.1021/jm00123a039 | 5-hydroxytryptamine receptor 1B | 1 |
| 2537429 | 10.1021/jm00123a039 | Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine