Compound Detail
CHEMBL3593877
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Basic Information
| ChEMBL ID | CHEMBL3593877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDLQZIZLKKJBTM-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
424.9
MW (Da)
5.14
ALogP
6
HBA
1
HBD
87.9
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.62
IC50 1 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.62 | 6.62 | 240.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.33 | 6.33 | 473.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 240.0 | nM | 6.62 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as inhib... | 26162497 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 473.0 | nM | 6.33 | Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed ... | 26162497 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26162497 | 10.1016/j.bmc.2015.06.048 | Human immunodeficiency virus 1 | 3 |
| 26162497 | 10.1016/j.bmc.2015.06.048 | Human immunodeficiency virus 2 | 1 |
| 26162497 | 10.1016/j.bmc.2015.06.048 | MT4 | 1 |
| 26162497 | 10.1016/j.bmc.2015.06.048 | Unchecked | 1 |
| 26162497 | 10.1016/j.bmc.2015.06.048 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine