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Compound Detail

CHEMBL175364

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N#CCCCOc1ccc(OCc2ccccc2C#N)cc1/C(O)=C/C(=O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL175364
Phase Preclinical
Structure Type MOL
InChI Key MJUIUXWWURUVFS-UNOMPAQXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

406.4
MW (Da)
3.37
ALogP
7
HBA
2
HBD
140.6
PSA (Ų)
0.26
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18N2O6
MW 406.39
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
14695815 10.1021/jm0342109 RNA-directed RNA polymerase 1

Data from ChEMBL 36 via Core Engine