Compound Detail
CHEMBL1096154
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Basic Information
| ChEMBL ID | CHEMBL1096154 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZDBIPVIFFNEMB-QHCPKHFHSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
3
Publications
0
Known Names
Molecular Properties
438.6
MW (Da)
3.62
ALogP
5
HBA
1
HBD
75.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 9.5 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 4.0 | % | Rattus norvegicus |
| T1/2 | 5.8 | hr | Rattus norvegicus |
| Vd | 1.4 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 16.0 | nM | 7.8 | Antiviral activity against HIV1 3B infected in human HOS cells expressing human ... | 20443225 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20443225 | 10.1016/j.bmcl.2010.03.118 | Rattus norvegicus | 4 |
| 20443225 | 10.1016/j.bmcl.2010.03.118 | Human immunodeficiency virus 1 | 1 |
| 20443225 | 10.1016/j.bmcl.2010.03.118 | HOS | 1 |
Data from ChEMBL 36 via Core Engine