Compound Detail
CHEMBL149723
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Basic Information
| ChEMBL ID | CHEMBL149723 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBJNMUDPZNPIDT-LJQANCHMSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
396.6
MW (Da)
3.78
ALogP
4
HBA
1
HBD
41.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 8.17 | 8.17 | 6.7 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 6.37 | 6.37 | 430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 6.7 | nM | 8.17 | Binding affinity for Dopamine receptor D2 by displacement of [3H]-spiperone | 10743959 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 100.0 | nM | 7.0 | Displacement of [3H]8-OH-DPAT from rat striata 5-hydroxytryptamine 1A receptor | 10743959 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 430.0 | nM | 6.37 | Binding affinity for 5-hydroxytryptamine 2 receptor from striata of male Wistar ... | 10743959 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10743959 | 10.1016/s0960-894x(00)00030-5 | 5-hydroxytryptamine receptor 1A | 1 |
| 10743959 | 10.1016/s0960-894x(00)00030-5 | D(2) dopamine receptor | 1 |
| 10743959 | 10.1016/s0960-894x(00)00030-5 | Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine