Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4078776

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C=CCOC(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4078776
Phase Preclinical
Structure Type MOL
InChI Key LYJHVEDILOKZCG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

162.2
MW (Da)
2.03
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.50
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 C10H10O2
MW 162.19
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -0.30

Literature References

PubMed DOI Target Context # Activities
28129978 10.1016/j.bmcl.2017.01.037 MDA-MB-231 1
28129978 10.1016/j.bmcl.2017.01.037 MIA PaCa-2 1
28129978 10.1016/j.bmcl.2017.01.037 4T1 1

Data from ChEMBL 36 via Core Engine