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

CHEMBL1830034

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
O=C(O)C1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1830034
Phase Preclinical
Structure Type MOL
InChI Key QLBXWPYRCIWKCQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
3.02
ALogP
5
HBA
1
HBD
74.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H24O6
MW 324.37
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 0.93

Literature References

PubMed DOI Target Context # Activities
21802291 10.1016/j.bmcl.2011.07.024 Fasciola hepatica 3
28236592 10.1016/j.bmcl.2017.02.023 Epidermal growth factor receptor 3
28236592 10.1016/j.bmcl.2017.02.023 A549 1
28236592 10.1016/j.bmcl.2017.02.023 A-431 1
28236592 10.1016/j.bmcl.2017.02.023 NCI-H1975 1
28236592 10.1016/j.bmcl.2017.02.023 HCC827 1
28236592 10.1016/j.bmcl.2017.02.023 L02 1

Data from ChEMBL 36 via Core Engine