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Compound Detail

CHEMBL31175

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CC(=O)Oc1ccc(/C=C/C(=O)OCCCOC(=O)/C=C/c2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL31175
Phase Preclinical
Structure Type MOL
InChI Key WUMADTZQXQCLTE-QHKWOANTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

568.5
MW (Da)
3.59
ALogP
12
HBA
0
HBD
157.8
PSA (Ų)
0.16
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H28O12
MW 568.53
Aromatic Rings 2
Heavy Atoms 41
NP-Likeness 0.26

Literature References

PubMed DOI Target Context # Activities
10212126 10.1021/jm980531m Human immunodeficiency virus type 1 integrase 2

Data from ChEMBL 36 via Core Engine