Compound Detail
CHEMBL1767178
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Basic Information
| ChEMBL ID | CHEMBL1767178 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTRULQHTFNELBF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
4.10
ALogP
6
HBA
1
HBD
73.5
PSA (Ų)
0.38
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of recombinant HIV1 reverse transcriptase RNase H expressed in Escher... | 30031978 |
| Unchecked | IC50 | = | 4500.0 | nM | 5.35 | Inhibition of HIV recombinant integrase strand transfer activity expressed in Es... | 21381765 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21381765 | 10.1021/jm1014378 | Human immunodeficiency virus 1 | 3 |
| 21381765 | 10.1021/jm1014378 | Unchecked | 2 |
| 21381765 | 10.1021/jm1014378 | CEM-SS | 1 |
| 30031978 | 10.1016/j.ejmech.2018.07.035 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine