Compound Detail
CHEMBL564495
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Basic Information
| ChEMBL ID | CHEMBL564495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWAUHOPROZDIJR-YHYXMXQVSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
247.2
MW (Da)
2.21
ALogP
4
HBA
2
HBD
123.4
PSA (Ų)
0.21
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 6.48 | 6.48 | 330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 330.0 | nM | 6.48 | Inhibition of HIV1 integrase strand transfer activity | 19450984 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19949052 | 10.1128/aac.00891-09 | Human immunodeficiency virus 1 | 3 |
| 19450984 | 10.1016/j.bmc.2009.04.058 | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine