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Compound Detail

CHEMBL148241

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CCOc1ccc(Cc2ccccc2)cc1C(=O)CC(=O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL148241
Phase Preclinical
Structure Type MOL
InChI Key OGLHHDXOFIKETQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
2.90
ALogP
4
HBA
1
HBD
80.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18O5
MW 326.35
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.23

Literature References

PubMed DOI Target Context # Activities
11150161 10.1021/jm000176b Human immunodeficiency virus 1 2
11150161 10.1021/jm000176b Human immunodeficiency virus type 1 integrase 1

Data from ChEMBL 36 via Core Engine