Compound Detail
CHEMBL221081
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Basic Information
| ChEMBL ID | CHEMBL221081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKVPFUHKLCDSDC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
2.84
ALogP
7
HBA
1
HBD
93.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 11.0 | nM | 7.96 | Antiviral activity against HIV1 3B in MT2 cells | 16931015 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16931015 | 10.1016/j.bmcl.2006.08.037 | MT2 | 1 |
| 16931015 | 10.1016/j.bmcl.2006.08.037 | Human immunodeficiency virus 1 | 1 |
| 16931015 | 10.1016/j.bmcl.2006.08.037 | Unchecked | 1 |
| 23937980 | 10.1016/j.bmcl.2013.06.091 | No relevant target | 1 |
| 23899617 | 10.1016/j.bmcl.2013.06.093 | No relevant target | 1 |
| 27485603 | 10.1016/j.bmc.2016.07.039 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine