Compound Detail
CHEMBL276809
SEMPERVIRINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL276809 |
| Name | SEMPERVIRINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMZFHYNTTBDYHR-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
276.4
MW (Da)
3.60
ALogP
0
HBA
0
HBD
18.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.53
Ki 1 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 2D6 CHEMBL289 | Ki | 5.01 | 5.01 | 9700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.53 | 4.53 | 29400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 2D6 | Ki | = | 9700.0 | nM | 5.01 | Inhibitory effect on Bufuralol 1'-hydroxylation by human liver microsomes (Ki = ... | 8487254 |
| Unchecked | IC50 | = | 29400.0 | nM | 4.53 | Inhibition of p53/HDM2 interaction | 22104152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8487254 | 10.1021/jm00061a004 | Cytochrome P450 2D6 | 1 |
| 22104152 | 10.1016/j.bmcl.2011.10.054 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine