Compound Detail
CHEMBL357713
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Basic Information
| ChEMBL ID | CHEMBL357713 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBRDMVUKHABDGX-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
371.2
MW (Da)
3.90
ALogP
3
HBA
0
HBD
33.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.6
IC50 1 meas. best 4.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.6 | 5.0833 | 2500.0 | 3 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.21 | 4.21 | 61400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 2500.0 | nM | 5.6 | Effective concentration (anti-HIV activity) required to reduce HIV-1 induced cyt... | 12431069 |
| Human immunodeficiency virus 1 | EC50 | = | 4850.0 | nM | 5.31 | Effective concentration (anti-HIV activity) required to reduce HIV-1 induced cyt... | 12431069 |
| Human immunodeficiency virus 1 | EC50 | = | 45800.0 | nM | 4.34 | Concentration required to reduced HIV-1-induced cytopathic effect by 50% in CEM ... | 12431069 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 61400.0 | nM | 4.21 | HIV-1 reverse transcriptase (RT) activity using Poly (rC)/oligo (dG) as template... | 12431069 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12431069 | 10.1021/jm020977+ | Human immunodeficiency virus 1 | 5 |
| 12431069 | 10.1021/jm020977+ | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 12431069 | 10.1021/jm020977+ | Unchecked | 1 |
| 18687505 | 10.1016/j.ejmech.2008.05.036 | Human immunodeficiency virus | 1 |
Data from ChEMBL 36 via Core Engine