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Compound Detail

CHEMBL357909

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O=C(O)C(=O)CC(=O)c1cccc(Cc2ccccc2Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL357909
Phase Preclinical
Structure Type MOL
InChI Key DHGBOFGLYQDCJI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

316.7
MW (Da)
3.16
ALogP
3
HBA
1
HBD
71.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13ClO4
MW 316.74
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
11150161 10.1021/jm000176b Human immunodeficiency virus type 1 integrase 1
11150161 10.1021/jm000176b Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine