Compound Detail
CHEMBL4067680
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O=C(Nc1ccc(-c2ccccc2)cc1)c1c(Nc2ccc(-c3ccccc3)cc2)[nH]c(=O)n(O)c1=O
Basic Information
| ChEMBL ID | CHEMBL4067680 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUWIMMKFDPEICZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
490.5
MW (Da)
5.10
ALogP
6
HBA
4
HBD
116.2
PSA (Ų)
0.25
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.0 | 5.875 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of recombinant full length HIV1 reverse transcriptase RNase H domain ... | 28525279 |
| Unchecked | IC50 | = | 1800.0 | nM | 5.75 | 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