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Compound Detail

CHEMBL191200

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COc1cc(/C=C/S(=O)(=O)CS(=O)(=O)/C=C/c2ccc(C(C)=O)c(OC)c2)ccc1C(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL191200
Phase Preclinical
Structure Type MOL
InChI Key NYFMSXBNVVZQNR-WGDLNXRISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

492.6
MW (Da)
3.54
ALogP
8
HBA
0
HBD
120.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24O8S2
MW 492.57
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.07

Literature References

PubMed DOI Target Context # Activities
15999991 10.1021/jm049171v Human immunodeficiency virus type 1 integrase 2

Data from ChEMBL 36 via Core Engine