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

CHEMBL89586

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=C1C=CC2(Oc3cccc4cccc(c34)O2)c2cccc(OCc3ccc(-c4ccccc4Cl)o3)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL89586
Phase Preclinical
Structure Type MOL
InChI Key HLOQWZVKSFGRIF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

506.9
MW (Da)
7.71
ALogP
5
HBA
0
HBD
57.9
PSA (Ų)
0.25
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H19ClO5
MW 506.94
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness 0.29

Literature References

PubMed DOI Target Context # Activities
11551767 10.1016/s0960-894x(01)00525-x Thioredoxin reductase 2
11551767 10.1016/s0960-894x(01)00525-x MDA-MB-231 1
11551767 10.1016/s0960-894x(01)00525-x MCF7 1

Data from ChEMBL 36 via Core Engine