Compound Detail
CHEMBL253629
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Basic Information
| ChEMBL ID | CHEMBL253629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEPUPYVRZUWCQB-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
372.2
MW (Da)
1.81
ALogP
3
HBA
2
HBD
96.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.44
EC50 1 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.44 | 8.44 | 3.6 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.92 | 6.08 | 120.0 | 3 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3.6 | nM | 8.44 | Inhibition of HIV NL43 recombinant reverse transcriptase by scintillation proxim... | 18083561 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 120.0 | nM | 6.92 | Inhibition of HIV NL43 recombinant reverse transcriptase Y181C mutant by scintil... | 18083561 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 480.0 | nM | 6.32 | Inhibition of recombinant HIV-1 BH10 reverse transcriptase using D38/[32P]25PGA ... | 33352387 |
| Human immunodeficiency virus 1 | EC50 | = | 3600.0 | nM | 5.44 | Antiviral activity against HIV-3B infected in human MT-4 cells assessed as reduc... | 33352387 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of HIV NL43 recombinant reverse transcriptase K103N mutant by scintil... | 18083561 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18083561 | 10.1016/j.bmcl.2007.11.085 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 33352387 | 10.1016/j.bmc.2020.115927 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 18083561 | 10.1016/j.bmcl.2007.11.085 | Unchecked | 1 |
| 18083561 | 10.1016/j.bmcl.2007.11.085 | Human immunodeficiency virus | 1 |
| 33352387 | 10.1016/j.bmc.2020.115927 | Human immunodeficiency virus 1 | 1 |
| 33352387 | 10.1016/j.bmc.2020.115927 | MT4 | 1 |
| 33352387 | 10.1016/j.bmc.2020.115927 | Human immunodeficiency virus 2 | 1 |
Data from ChEMBL 36 via Core Engine