Compound Detail
CHEMBL16684
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Basic Information
| ChEMBL ID | CHEMBL16684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BIJQIBCCCCBNON-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
1.83
ALogP
6
HBA
2
HBD
84.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.15
IC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.15 | 8.15 | 7.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | EC50 | 7.89 | 7.89 | 13.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 7.89 | 7.89 | 13.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.1 | 5.1 | 7890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 7.0 | nM | 8.15 | Antiviral activity against HIV1 3B infected in human MT4 cells | 29529501 |
| Human immunodeficiency virus type 1 reverse transcriptase | EC50 | = | 13.0 | nM | 7.89 | Inhibition of HIV-1 reverse transcriptase at 37 degree Centigrade | 11170624 |
| NON-PROTEIN TARGET | EC50 | = | 13.0 | nM | 7.89 | Concentration required to achieve 50% protection of MT-4 cells against the cytop... | 1732552 |
| Human immunodeficiency virus type 1 reverse transcriptase | EC50 | = | 13.0 | nM | 7.89 | Inhibitory concentration against HIV-1 reverse transcriptase | 9435895 |
| Human immunodeficiency virus 1 | IC50 | = | 7890.0 | nM | 5.1 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as prote... | 24657566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80640-X | MT4 | 1 |
| 12086483 | 10.1021/jm010580q | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 11170624 | 10.1021/jm000255n | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 1732552 | 10.1021/jm00080a020 | NON-PROTEIN TARGET | 1 |
| 1732552 | 10.1021/jm00080a020 | MT4 | 1 |
| 1732552 | 10.1021/jm00080a020 | Unchecked | 1 |
| 9435895 | 10.1021/jm970110p | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 24657566 | 10.1016/j.ejmech.2014.03.013 | Human immunodeficiency virus 1 | 1 |
| 29529501 | 10.1016/j.ejmech.2018.03.007 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine