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Compound Detail

CHEMBL4072272

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COc1ccc(C2=NOC(c3ccc(OC)c(O)c3)(c3cc(OC)c(OC)c(OC)c3)C2)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4072272
Phase Preclinical
Structure Type MOL
InChI Key BBVYMWRLRHDMQE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

481.5
MW (Da)
4.21
ALogP
9
HBA
2
HBD
108.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27NO8
MW 481.50
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness 0.46

Literature References

PubMed DOI Target Context # Activities
28803799 10.1016/j.bmc.2017.07.048 PC-3 1
28803799 10.1016/j.bmc.2017.07.048 HeLa 1

Data from ChEMBL 36 via Core Engine