Compound Detail
CHEMBL599045
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Basic Information
| ChEMBL ID | CHEMBL599045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLVBWAXPWVEUSK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
382.9
MW (Da)
3.86
ALogP
5
HBA
0
HBD
33.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.76 | 5.76 | 1730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 1730.0 | nM | 5.76 | Displacement of [3H]nemonapride from D2-like receptor in Wistar rat striatum hom... | 20153652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20153652 | 10.1016/j.bmc.2010.01.040 | Unchecked | 1 |
| 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