Compound Detail
CHEMBL5086864
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Basic Information
| ChEMBL ID | CHEMBL5086864 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOGLTJVFULDNHV-FQEVSTJZSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
413.6
MW (Da)
6.65
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.60
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.51 | 5.995 | 31.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 31.0 | nM | 7.51 | Anti retroviral activity against HIV-1 NL4-3 harboring at TT polymorph infected ... | 35235334 |
| Human immunodeficiency virus 1 | EC50 | = | 1500.0 | nM | 5.82 | Anti retroviral activity against HIV-1 NL4-3 harboring at AA polymorph infected ... | 35235334 |
| Human immunodeficiency virus 1 | EC50 | = | 1600.0 | nM | 5.8 | Anti retroviral activity against HIV-1 NL4-3 harboring at TA polymorph infected ... | 35235334 |
| Human immunodeficiency virus 1 | EC50 | = | 14000.0 | nM | 4.85 | Anti retroviral activity against HIV-1 NL4-3 harboring at AT polymorph infected ... | 35235334 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35235334 | 10.1021/acs.jmedchem.1c02169 | Human immunodeficiency virus 1 | 4 |
Data from ChEMBL 36 via Core Engine