Compound Detail
CHEMBL571202
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Basic Information
| ChEMBL ID | CHEMBL571202 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNYNQVPNMSPERK-QHCPKHFHSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
4
Publications
0
Known Names
Molecular Properties
430.6
MW (Da)
3.77
ALogP
6
HBA
0
HBD
39.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 9.9 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 31.0 | % | Rattus norvegicus |
| T1/2 | 8.8 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 4.0 | nM | 8.4 | Antiviral activity against HIV1 3B infected human HOS cells expressing human CXC... | 19818609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19818609 | 10.1016/j.bmcl.2009.09.056 | Rattus norvegicus | 4 |
| 19818609 | 10.1016/j.bmcl.2009.09.056 | Human immunodeficiency virus 1 | 2 |
| 19818609 | 10.1016/j.bmcl.2009.09.056 | C-X-C chemokine receptor type 4 | 1 |
| 19818609 | 10.1016/j.bmcl.2009.09.056 | HOS | 1 |
Data from ChEMBL 36 via Core Engine