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Compound Detail

CHEMBL3582075

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

Basic Information

ChEMBL ID CHEMBL3582075
Phase Preclinical
Structure Type MOL
InChI Key ZJMPWJWJOLCFDW-KQWNVCNZSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
4.21
ALogP
6
HBA
1
HBD
85.6
PSA (Ų)
0.18
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25NO5
MW 419.48
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.46

Activity Summary

IC50 1 meas.

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