Compound Detail
CHEMBL240511
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Cc1ccc(NC(=O)CN2C(=O)/C(=N\NC(=O)c3ccc4ccccc4n3)c3ccccc32)cc1
Basic Information
| ChEMBL ID | CHEMBL240511 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYOOETOIEXEEDN-JVCXMKTPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
463.5
MW (Da)
3.66
ALogP
5
HBA
2
HBD
103.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 4.08 | 4.08 | 84000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 84000.0 | nM | 4.08 | Inhibition of HIV1 integrase 3'-end processing activity | 17502148 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 84000.0 | nM | 4.08 | Inhibition of HIV1 integrase strand transfer activity | 17502148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17502148 | 10.1016/j.bmc.2007.04.041 | Human immunodeficiency virus type 1 integrase | 2 |
Data from ChEMBL 36 via Core Engine