Compound Detail
CHEMBL87451
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Basic Information
| ChEMBL ID | CHEMBL87451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSZPCWCYYSOCKA-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
296.3
MW (Da)
3.14
ALogP
3
HBA
1
HBD
45.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.77
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.77 | 7.535 | 17.0 | 2 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.3 | 7.3 | 50.0 | 2 |
| MT4 CHEMBL388 | EC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 17.0 | nM | 7.77 | Antiviral activity against HIV1 NL4-3 in human MT4 cells assessed as inhibition ... | 18630898 |
| MT4 | EC50 | = | 50.0 | nM | 7.3 | Concentration required to achieve 50% protection of MT-4 cells from HIV-1-induce... | 10052969 |
| Human immunodeficiency virus 1 | EC50 | = | 50.0 | nM | 7.3 | Effective concentration against HIV-1 induced cytopathogenicity in MT-4 cells | 11472208 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 50.0 | nM | 7.3 | Concentration required to inhibit the HIV-1 reverse transcriptase activity by 50... | 10052969 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 50.0 | nM | 7.3 | Inhibitory activity against HIV-1 recombinant reverse transcriptase. | 11472208 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11472208 | 10.1021/jm010853h | Human immunodeficiency virus 1 | 4 |
| 10052969 | 10.1021/jm980260f | MT4 | 3 |
| 11472208 | 10.1021/jm010853h | MT4 | 2 |
| 12086483 | 10.1021/jm010580q | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 10052969 | 10.1021/jm980260f | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 11472208 | 10.1021/jm010853h | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 18630898 | 10.1021/jm800340w | Human immunodeficiency virus 1 | 1 |
| 18630898 | 10.1021/jm800340w | MT4 | 1 |
| 18630898 | 10.1021/jm800340w | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine