Compound Detail
CHEMBL2179502
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Basic Information
| ChEMBL ID | CHEMBL2179502 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJOQIDPRFYDEQL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
5
PK Parameters
2
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
3.16
ALogP
6
HBA
0
HBD
81.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Scavenger receptor class B member 1 CHEMBL1914272 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 520.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 66.17 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 3080.59 | nM | Rattus norvegicus |
| T1/2 | 0.71 | hr | Rattus norvegicus |
| Vd | 3.96 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Scavenger receptor class B member 1 | IC50 | = | 1.5 | nM | 8.82 | Inhibition of human SRB1-mediated Hepatitis C virus genotype 2a entry into human... | 22784640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22784640 | 10.1016/j.bmcl.2012.06.038 | Rattus norvegicus | 5 |
| 22784640 | 10.1016/j.bmcl.2012.06.038 | Scavenger receptor class B member 1 | 1 |
Data from ChEMBL 36 via Core Engine