Compound Detail
CHEMBL4103727
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Basic Information
| ChEMBL ID | CHEMBL4103727 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUPJEQQZAHHOQC-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
3.25
ALogP
6
HBA
1
HBD
73.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.41
IC50 2 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.41 | 6.955 | 39.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.82 | 5.53 | 1500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 39.0 | nM | 7.41 | Antiviral activity against HIV1 infected in human P4R5 cells assessed as reducti... | 28182989 |
| Human immunodeficiency virus 1 | EC50 | = | 320.0 | nM | 6.5 | Antiviral activity against HIV1 infected in human CEM-SS cells assessed as reduc... | 28182989 |
| Unchecked | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of HIV reverse transcriptase polymerase activity assessed as reductio... | 28182989 |
| Unchecked | IC50 | = | 5800.0 | nM | 5.24 | Inhibition of RNase H activity of full length HIV reverse transcriptase using RN... | 28182989 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28182989 | 10.1016/j.ejmech.2017.01.041 | Unchecked | 4 |
| 28182989 | 10.1016/j.ejmech.2017.01.041 | Human immunodeficiency virus 1 | 2 |
Data from ChEMBL 36 via Core Engine