Compound Detail
CHEMBL4104008
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Basic Information
| ChEMBL ID | CHEMBL4104008 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNGYZIOTYNUZKT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
402.4
MW (Da)
2.79
ALogP
6
HBA
4
HBD
116.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.24 | 5.96 | 57.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 57.0 | nM | 7.24 | Inhibition of recombinant full length HIV1 reverse transcriptase RNase H domain ... | 28525279 |
| Unchecked | IC50 | = | 21000.0 | nM | 4.68 | Inhibition of HIV integrase strand transfer activity expressed in Escherichia co... | 28525279 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28525279 | 10.1021/acs.jmedchem.7b00440 | Unchecked | 5 |
| 28525279 | 10.1021/acs.jmedchem.7b00440 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine