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Compound Detail

CHEMBL3582040

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CCOC(=O)/C(O)=C/C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3582040
Phase Preclinical
Structure Type MOL
InChI Key AXBDRFACJXFODH-JAIQZWGSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

411.8
MW (Da)
3.89
ALogP
6
HBA
1
HBD
85.6
PSA (Ų)
0.29
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 C22H18ClNO5
MW 411.84
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.74

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