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Compound Detail

CHEMBL4126215

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O=C(OCCO)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4126215
Phase Preclinical
Structure Type MOL
InChI Key LSWRBVSEWBWTDR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

166.2
MW (Da)
0.84
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C9H10O3
MW 166.18
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 0.01

Literature References

PubMed DOI Target Context # Activities
28409637 10.1021/acs.jnatprod.6b01069 MCF7 1
28409637 10.1021/acs.jnatprod.6b01069 HT-29 1

Data from ChEMBL 36 via Core Engine