Compound Detail
CHEMBL4101479
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COc1ccc(-c2ccc(NC(=O)c3c(Nc4ccc(-c5ccccc5)cc4)[nH]c(=O)n(O)c3=O)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL4101479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVTQZBSPRCSHJH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
520.5
MW (Da)
5.11
ALogP
7
HBA
4
HBD
125.5
PSA (Ų)
0.22
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.92 | 5.885 | 1200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of recombinant full length HIV1 reverse transcriptase RNase H domain ... | 28525279 |
| Unchecked | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of recombinant full length HIV1 reverse transcriptase polymerase doma... | 28525279 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28525279 | 10.1021/acs.jmedchem.7b00440 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine