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Compound Detail

CHEMBL4061832

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CCCCC1(c2cc(OC)c(OC)c(OC)c2)CC(c2ccc(OC)c(O)c2)=NO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4061832
Phase Preclinical
Structure Type MOL
InChI Key MYLSNNPFVHSWFN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

415.5
MW (Da)
4.64
ALogP
7
HBA
1
HBD
78.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29NO6
MW 415.49
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.44

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