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Compound Detail

CHEMBL133828

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COC(=O)c1cc2cc(O)c(O)cc2cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL133828
Phase Preclinical
Structure Type MOL
InChI Key ZTWHYXMEDZTKGF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

219.2
MW (Da)
1.43
ALogP
5
HBA
2
HBD
79.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H9NO4
MW 219.20
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness 0.10

Literature References

PubMed DOI Target Context # Activities
7473544 10.1021/jm00021a006 Human immunodeficiency virus type 1 integrase 1

Data from ChEMBL 36 via Core Engine