Compound Detail
CHEMBL599046
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Basic Information
| ChEMBL ID | CHEMBL599046 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGKMPQBXVPXPBR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
2.73
ALogP
5
HBA
0
HBD
37.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 5.82 | 5.82 | 1500.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.7 | 5.7 | 1980.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 5.48 | 5.48 | 3320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 1500.0 | nM | 5.82 | Displacement of [3H]-8-OH-DPAT from 5HT1A receptor in Wistar rat hippocampus hom... | 20153652 |
| Unchecked | Ki | = | 1980.0 | nM | 5.7 | Displacement of [3H]nemonapride from D2-like receptor in Wistar rat striatum hom... | 20153652 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 3320.0 | nM | 5.48 | Displacement of [3H]ketanserin from 5HT2A receptor in Wistar rat cortex homogena... | 20153652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20153652 | 10.1016/j.bmc.2010.01.040 | Unchecked | 4 |
| 20153652 | 10.1016/j.bmc.2010.01.040 | 5-hydroxytryptamine receptor 1A | 1 |
| 20153652 | 10.1016/j.bmc.2010.01.040 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine