Compound Detail
CHEMBL3593512
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Basic Information
| ChEMBL ID | CHEMBL3593512 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHEUSXLPFVIHGA-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
483.6
MW (Da)
3.44
ALogP
8
HBA
2
HBD
148.1
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.09
IC50 1 meas. best 5.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.09 | 6.09 | 810.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.56 | 5.56 | 2775.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 810.0 | nM | 6.09 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as inhib... | 26162497 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 2775.0 | nM | 5.56 | 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