Compound Detail
CHEMBL30868
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Basic Information
| ChEMBL ID | CHEMBL30868 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEQHQUIPLHIYJE-FCXRPNKRSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
430.4
MW (Da)
1.78
ALogP
9
HBA
5
HBD
170.8
PSA (Ų)
0.24
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 6.28 | 5.81 | 520.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 520.0 | nM | 6.28 | Inhibitory activity against Human Immunodeficiency Virus Type 1 integrase (HIV-1... | 9986720 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integr... | 10212126 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 4200.0 | nM | 5.38 | Compound was evaluated for the inhibitory concentration against HIV-1 integrase ... | 10212126 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10212126 | 10.1021/jm980531m | Human immunodeficiency virus type 1 integrase | 2 |
| 9986720 | 10.1021/jm9804735 | Human immunodeficiency virus type 1 integrase | 2 |
| 9986720 | 10.1021/jm9804735 | MT2 | 1 |
| 9986720 | 10.1021/jm9804735 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine