Compound Detail
CHEMBL338145
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Basic Information
| ChEMBL ID | CHEMBL338145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUEQWUQEKJEBIC-OCOZRVBESA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
3.46
ALogP
8
HBA
1
HBD
129.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 4.63 | 4.47 | 23442.3 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 23600.0 | nM | 4.63 | Inhibitory concentration against HIV-1 integrase by strand transfer method | 9083480 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 23442.29 | nM | 4.63 | Inhibitory activity against DNA strand transfer by HIV integrase | 14711310 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 49000.0 | nM | 4.31 | Inhibitory concentration to inhibit HIV-1 integrase by 3' -processing method | 9083480 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 48977.88 | nM | 4.31 | Inhibitory activity against 3' processing by HIV integrase | 14711310 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9083480 | 10.1021/jm960596u | Human immunodeficiency virus type 1 integrase | 2 |
| 14711310 | 10.1021/jm030378i | Human immunodeficiency virus type 1 integrase | 2 |
Data from ChEMBL 36 via Core Engine