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Compound Detail

CHEMBL3263568

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CCCCn1ccc2cc(/C=C3\Oc4cc(O)cc(O)c4C3=O)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3263568
Phase Preclinical
Structure Type MOL
InChI Key AJKBTSSXVWJBJH-GRSHGNNSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
4.47
ALogP
5
HBA
2
HBD
71.7
PSA (Ų)
0.68
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 C21H19NO4
MW 349.39
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.05

Literature References

PubMed DOI Target Context # Activities
24835816 10.1016/j.ejmech.2014.04.005 Unchecked 2

Data from ChEMBL 36 via Core Engine