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Compound Detail

CHEMBL3735403

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COC(=O)c1cccc(Cn2ccc3cc(OC)c(OC)cc3c2=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3735403
Phase Preclinical
Structure Type MOL
InChI Key ZTUFHYYTKYPRHW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

353.4
MW (Da)
2.85
ALogP
6
HBA
0
HBD
66.8
PSA (Ų)
0.66
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 C20H19NO5
MW 353.37
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.59

Literature References

PubMed DOI Target Context # Activities
26546216 10.1016/j.bmcl.2015.10.018 Molecular identity unknown 3

Data from ChEMBL 36 via Core Engine