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

CHEMBL390534

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)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(OC)c(OC)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL390534
Phase Preclinical
Structure Type MOL
InChI Key JMHCNNYXXAKSNM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

439.9
MW (Da)
3.47
ALogP
7
HBA
1
HBD
103.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18ClNO7S
MW 439.87
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
15566282 10.1021/jm049360d Tubulin 2
15566282 10.1021/jm049360d MCF7 1

Data from ChEMBL 36 via Core Engine