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Compound Detail

CHEMBL391444

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CC(=O)Nc1ccc2c(c1)OCCOCCOc1cc(NC(C)=O)ccc1OCCOCCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL391444
Phase Preclinical
Structure Type MOL
InChI Key WZVHSGAOHAKJPI-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

474.5
MW (Da)
2.87
ALogP
8
HBA
2
HBD
113.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30N2O8
MW 474.51
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.68

Activity Summary

IC50 2 meas.

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