Compound Detail
CHEMBL3298050
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Basic Information
| ChEMBL ID | CHEMBL3298050 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILJJQSGHXBBSOT-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
522.4
MW (Da)
4.55
ALogP
4
HBA
1
HBD
64.1
PSA (Ų)
0.46
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.05 | 4.8833 | 9000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 9000.0 | nM | 5.05 | Antiviral activity against wild type HIV1 3B infected in human MT4 cells assesse... | 24805780 |
| Human immunodeficiency virus 1 | EC50 | = | 11000.0 | nM | 4.96 | Antiviral activity against zidovudine-resistant HIV1 harboring RT 67N, 70R, 215F... | 24805780 |
| Human immunodeficiency virus 1 | EC50 | = | 23000.0 | nM | 4.64 | Antiviral activity against saquinavir-resistant HIV1 infected in human MT4 cells... | 24805780 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24805780 | 10.1021/jm500139a | Human immunodeficiency virus 1 | 7 |
| 24805780 | 10.1021/jm500139a | MT4 | 1 |
Data from ChEMBL 36 via Core Engine