Compound Detail
CHEMBL104363
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Basic Information
| ChEMBL ID | CHEMBL104363 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTKAPNGGIREIRO-SUMWQHHRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
277.4
MW (Da)
3.33
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 5.54 | 5.54 | 2867.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | IC50 | = | 2867.0 | nM | 5.54 | Binding affinity against alpha-1 adrenergic receptor | 1681106 |
| Glutamate NMDA receptor | IC50 | = | 6300.0 | nM | 5.2 | N-methyl-D-aspartate glutamate receptor antagonistic activity in cell culture(CC... | 1681106 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1681106 | 10.1021/jm00114a018 | Glutamate NMDA receptor | 1 |
| 1681106 | 10.1021/jm00114a018 | Adrenergic receptor alpha-1 | 1 |
| 1681106 | 10.1021/jm00114a018 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine