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

CHEMBL594407

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
COc1cc(C(=O)c2cc3cc(OC)c(OC)c(OC)c3o2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL594407
Phase Preclinical
Structure Type MOL
InChI Key BHCGSBUWDZRRQG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

402.4
MW (Da)
3.72
ALogP
8
HBA
0
HBD
85.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22O8
MW 402.40
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.22

Literature References

PubMed DOI Target Context # Activities
19736015 10.1016/j.bmc.2009.08.027 L1210 1
19736015 10.1016/j.bmc.2009.08.027 FM3A 1
19736015 10.1016/j.bmc.2009.08.027 NON-PROTEIN TARGET 1
19736015 10.1016/j.bmc.2009.08.027 CCRF-CEM 1
19736015 10.1016/j.bmc.2009.08.027 HeLa 1

Data from ChEMBL 36 via Core Engine