Compound Detail
CHEMBL577718
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Basic Information
| ChEMBL ID | CHEMBL577718 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGOLOOOFWVLWTN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
2.94
ALogP
5
HBA
1
HBD
76.9
PSA (Ų)
0.89
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus CHEMBL613758 | IC50 | 9.17 | 9.17 | 0.7 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.4 | - | Homo sapiens |
| T1/2 | 2.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus | IC50 | = | 0.67 | nM | 9.17 | Antiviral activity against HIV RF infected in human SupT1 cells | 19748778 |
| Unchecked | IC50 | = | 40.0 | nM | 7.4 | Inhibition of HIV reverse transcriptase | 19748778 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19748778 | 10.1016/j.bmcl.2009.08.080 | Unchecked | 11 |
| 19748778 | 10.1016/j.bmcl.2009.08.080 | Human immunodeficiency virus | 2 |
| 19748778 | 10.1016/j.bmcl.2009.08.080 | Liver microsomes | 2 |
| 19748778 | 10.1016/j.bmcl.2009.08.080 | No relevant target | 1 |
| 19748778 | 10.1016/j.bmcl.2009.08.080 | ADMET | 1 |
| 19748778 | 10.1016/j.bmcl.2009.08.080 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine