Compound Detail
CHEMBL155006
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Basic Information
| ChEMBL ID | CHEMBL155006 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHGSFGIUUOTCPG-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
395.6
MW (Da)
3.85
ALogP
4
HBA
1
HBD
48.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.55
Kd 2 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 7.55 | 7.55 | 28.2 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Kd | 7.5 | 7.5 | 31.6 | 1 |
| Rattus norvegicus CHEMBL376 | Kd | 7.5 | 7.5 | 31.6 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 7.04 | 7.04 | 91.2 | 2 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.65 | 6.65 | 223.9 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 5.93 | 5.93 | 1174.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 28.18 | nM | 7.55 | Inhibition constant for in vitro inhibition of [3H]spiperone binding to striatal... | - |
| Rattus norvegicus | Kd | = | 31.62 | nM | 7.5 | Competitive antagonism against serotonin-induced contractions in rat aorta ring ... | - |
| 5-hydroxytryptamine receptor 2A | Kd | = | 31.62 | nM | 7.5 | Negative log concentration of antagonistic compound was determined on 5-hydroxyt... | 11754579 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 91.2 | nM | 7.04 | Inhibition constant for in vitro inhibition of [3H]ketanserin binding to rat fro... | - |
| 5-hydroxytryptamine receptor 2A | Ki | = | 91.2 | nM | 7.04 | Inhibitory constant on 5-hydroxytryptamine 2A receptor of Rat frontal cortex | 11754579 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 223.87 | nM | 6.65 | Inhibitory constant was determined on 5-hydroxytryptamine 2C receptor of Bovine ... | 11754579 |
| D(1A) dopamine receptor | Ki | = | 1174.9 | nM | 5.93 | Inhibition constant for in vitro inhibition of [3H]-SCH- 23390 binding to striat... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11754579 | 10.1021/jm011014y | 5-hydroxytryptamine receptor 2A | 2 |
| - | 10.1016/0960-894X(95)00076-6 | D(1A) dopamine receptor | 1 |
| - | 10.1016/0960-894X(95)00076-6 | D(2) dopamine receptor | 1 |
| - | 10.1016/0960-894X(95)00076-6 | 5-hydroxytryptamine receptor 2A | 1 |
| - | 10.1016/0960-894X(95)00076-6 | Dopamine D1 and D2 receptor | 1 |
| - | 10.1016/0960-894X(95)00076-6 | Dopamine D2 receptor and serotonin 2a receptor | 1 |
| - | 10.1016/0960-894X(95)00076-6 | Rattus norvegicus | 1 |
| 11754579 | 10.1021/jm011014y | 5-hydroxytryptamine receptor 2B | 1 |
| 11754579 | 10.1021/jm011014y | 5-hydroxytryptamine receptor 2C | 1 |
| 11754579 | 10.1021/jm011014y | Serotonin receptor 2a and 2b (5HT2A and 5HT2B) | 1 |
| 11754579 | 10.1021/jm011014y | Serotonin receptor 2a and 2c (5HT2A and 5HT2C) | 1 |
Data from ChEMBL 36 via Core Engine