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Compound Detail

CHEMBL3582079

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O=C(O)/C(O)=C/C(=O)c1cn(CCCCc2ccccc2)c2ccccc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3582079
Phase Preclinical
Structure Type MOL
InChI Key JHCXZHLZYXHCMX-STZFKDTASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

391.4
MW (Da)
3.73
ALogP
5
HBA
2
HBD
96.6
PSA (Ų)
0.26
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 C23H21NO5
MW 391.42
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.32

Literature References

PubMed DOI Target Context # Activities
25961960 10.1021/acs.jmedchem.5b00159 Human immunodeficiency virus type 1 integrase 2
25961960 10.1021/acs.jmedchem.5b00159 Human immunodeficiency virus type 1 reverse transcriptase 1
25961960 10.1021/acs.jmedchem.5b00159 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine