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Compound Detail

CHEMBL497313

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CCOC(=O)/C(O)=C/C(=O)c1c[nH]c2cc(Cl)ccc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL497313
Phase Preclinical
Structure Type MOL
InChI Key DVPDNPZGODAMPS-MLPAPPSSSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

321.7
MW (Da)
2.37
ALogP
5
HBA
2
HBD
96.5
PSA (Ų)
0.39
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 C15H12ClNO5
MW 321.72
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.31

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
18646746 10.1021/jm8001422 Human immunodeficiency virus type 1 integrase 3
18646746 10.1021/jm8001422 Human immunodeficiency virus 1 1
18646746 10.1021/jm8001422 U-937 1

Data from ChEMBL 36 via Core Engine