Compound Detail
CHEMBL4079259
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Basic Information
| ChEMBL ID | CHEMBL4079259 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOJMUAFMCWQDGC-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
508.6
MW (Da)
6.36
ALogP
8
HBA
2
HBD
106.7
PSA (Ų)
0.30
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.42 | 5.42 | 3810.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | EC50 | 5.25 | 5.22 | 5680.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 3810.0 | nM | 5.42 | Antiviral activity against wild type HIV1 3B harboring reverse transcriptase inf... | 28481112 |
| Human immunodeficiency virus type 1 reverse transcriptase | EC50 | = | 5680.0 | nM | 5.25 | Inhibition of HIV1 3B reverse transcriptase Y181C mutant infected in human MT4 c... | 28481112 |
| Human immunodeficiency virus type 1 reverse transcriptase | EC50 | = | 6420.0 | nM | 5.19 | Inhibition of HIV1 3B reverse transcriptase L100I mutant infected in human MT4 c... | 28481112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28481112 | 10.1021/acs.jmedchem.7b00332 | Unchecked | 8 |
| 28481112 | 10.1021/acs.jmedchem.7b00332 | Human immunodeficiency virus type 1 reverse transcriptase | 7 |
| 28481112 | 10.1021/acs.jmedchem.7b00332 | Human immunodeficiency virus 1 | 1 |
| 28481112 | 10.1021/acs.jmedchem.7b00332 | Human immunodeficiency virus 2 | 1 |
| 28481112 | 10.1021/acs.jmedchem.7b00332 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine