Compound Detail
CHEMBL290217
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Basic Information
| ChEMBL ID | CHEMBL290217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFKTZIXVYHGAES-WDBKCZKBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
256.4
MW (Da)
2.12
ALogP
2
HBA
2
HBD
39.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 1 (5-HT1) receptor CHEMBL2095159 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 1 (5-HT1) receptor | IC50 | = | 120.0 | nM | 6.92 | Binding affinity towards 5-hydroxytryptamine 1 receptor using [3H]5-HT as a radi... | 2456389 |
| Serotonin 2 (5-HT2) receptor | IC50 | = | 450.0 | nM | 6.35 | Binding affinity at 5-hydroxytryptamine 2 receptor from rat frontal cortex homog... | 2456389 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2456389 | 10.1021/jm00403a007 | Serotonin 1 (5-HT1) receptor | 1 |
| 2456389 | 10.1021/jm00403a007 | Serotonin 2 (5-HT2) receptor | 1 |
| 2456389 | 10.1021/jm00403a007 | Unchecked | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Acetylcholinesterase | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine