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Compound Detail

CHEMBL373818

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c1ccc(CN2CCOCCOCCOCCOCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL373818
Phase Preclinical
Structure Type MOL
InChI Key NYMNSQXENSRWHC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
1.57
ALogP
5
HBA
0
HBD
40.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H27NO4
MW 309.41
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
17300184 10.1021/jm061162u NCI-H460 1
17300184 10.1021/jm061162u HeLa 1
17300184 10.1021/jm061162u MIA PaCa-2 1
17300184 10.1021/jm061162u SW-620 1
17300184 10.1021/jm061162u MCF7 1

Data from ChEMBL 36 via Core Engine