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Compound Detail

CHEMBL425114

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OCCN(CCO)Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL425114
Phase Preclinical
Structure Type MOL
InChI Key MIZIOHLLYXVEHJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

195.3
MW (Da)
0.47
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H17NO2
MW 195.26
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -1.11

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