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Compound Detail

CHEMBL444410

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O=C(O)c1cn(CCO)c2ccc(-c3ccccc3)cc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL444410
Phase Preclinical
Structure Type MOL
InChI Key JOJKEDGFJQHPOU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

309.3
MW (Da)
2.36
ALogP
4
HBA
2
HBD
79.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15NO4
MW 309.32
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.55

Literature References

PubMed DOI Target Context # Activities
18665580 10.1021/jm8003784 Human immunodeficiency virus type 1 integrase 2
18665580 10.1021/jm8003784 Human immunodeficiency virus 1 1
18665580 10.1021/jm8003784 MT4 1

Data from ChEMBL 36 via Core Engine