Compound Detail
CHEMBL551308
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Basic Information
| ChEMBL ID | CHEMBL551308 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXYPWFUDXMSOQR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
341.2
MW (Da)
5.42
ALogP
1
HBA
2
HBD
27.8
PSA (Ų)
0.64
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human papillomavirus type 16 CHEMBL613205 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 5.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human papillomavirus type 16 | IC50 | = | 10.0 | nM | 8.0 | Antiviral activity against Human papillomavirus 16 infected in human W12-20850 c... | 19556128 |
| Cytochrome P450 2D6 | IC50 | = | 32000.0 | nM | 4.5 | Inhibition of CYP2D6 | 19556128 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19556128 | 10.1016/j.bmcl.2009.06.001 | Human papillomavirus type 16 | 1 |
| 19556128 | 10.1016/j.bmcl.2009.06.001 | HFF | 1 |
| 19556128 | 10.1016/j.bmcl.2009.06.001 | Cytochrome P450 2D6 | 1 |
| 19556128 | 10.1016/j.bmcl.2009.06.001 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 19556128 | 10.1016/j.bmcl.2009.06.001 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine