Compound Detail
CHEMBL434851
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Basic Information
| ChEMBL ID | CHEMBL434851 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTLAVCLHJCRRMX-UHFFFAOYSA-N |
1
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
308.8
MW (Da)
3.65
ALogP
3
HBA
0
HBD
33.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.62 | 5.815 | 242.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 242.0 | nM | 6.62 | Effective concentration (anti-HIV activity) required to reduce HIV-1 induced cyt... | 12431069 |
| Human immunodeficiency virus 1 | EC50 | = | 278.0 | nM | 6.56 | Effective concentration (anti-HIV activity) required to reduce HIV-1 induced cyt... | 12431069 |
| Human immunodeficiency virus 1 | EC50 | = | 2100.0 | nM | 5.68 | Antiviral activity against X4 tropic Human immunodeficiency virus 1 3B subtype B... | 24794742 |
| Human immunodeficiency virus 1 | EC50 | = | 3790.0 | nM | 5.42 | Antiviral activity against R5 tropic Human immunodeficiency virus 1 ADA5 subtype... | 24794742 |
| Human immunodeficiency virus 1 | EC50 | = | 4660.0 | nM | 5.33 | Antiviral activity against X4 tropic Human immunodeficiency virus 1 UG070 subtyp... | 24794742 |
| Human immunodeficiency virus 1 | EC50 | = | 5310.0 | nM | 5.28 | Antiviral activity against R5 tropic Human immunodeficiency virus 1 VB59 subtype... | 24794742 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12431069 | 10.1021/jm020977+ | Human immunodeficiency virus 1 | 5 |
| 24794742 | 10.1016/j.bmc.2014.04.018 | Unchecked | 5 |
| 24794742 | 10.1016/j.bmc.2014.04.018 | Human immunodeficiency virus 1 | 4 |
| 12431069 | 10.1021/jm020977+ | Unchecked | 1 |
| 12431069 | 10.1021/jm020977+ | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 18687505 | 10.1016/j.ejmech.2008.05.036 | Human immunodeficiency virus | 1 |
| 24794742 | 10.1016/j.bmc.2014.04.018 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine