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

CHEMBL4069446

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
COC(=O)c1cc(OC)c(OC(C)=O)c2oc3cc(C)ncc3c(=O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4069446
Phase Preclinical
Structure Type MOL
InChI Key DPALMJMZXLVEDD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

357.3
MW (Da)
2.37
ALogP
8
HBA
0
HBD
104.9
PSA (Ų)
0.40
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 C18H15NO7
MW 357.32
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.61

Literature References

PubMed DOI Target Context # Activities
28119026 10.1016/j.bmcl.2017.01.029 HepG2 2
28119026 10.1016/j.bmcl.2017.01.029 MDA-MB-435 2
28119026 10.1016/j.bmcl.2017.01.029 HCT-116 2
28119026 10.1016/j.bmcl.2017.01.029 NCI-H460 2
28119026 10.1016/j.bmcl.2017.01.029 MCF-10A 2

Data from ChEMBL 36 via Core Engine