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Compound Detail

CHEMBL3263905

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O=C(O)CCCn1cc(/C=C2\Oc3cc(O)cc(O)c3C2=O)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3263905
Phase Preclinical
Structure Type MOL
InChI Key VEPKQUOCIKIVPI-LSCVHKIXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

379.4
MW (Da)
3.53
ALogP
6
HBA
3
HBD
109.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17NO6
MW 379.37
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.15

Literature References

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

Data from ChEMBL 36 via Core Engine