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

CHEMBL437563

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
C[S+](CCCCc1ccc(CCCC(=O)O)cc1)CC(P(=O)([O-])O)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL437563
Phase Preclinical
Structure Type MOL
InChI Key ZDMOFNYQEFTJCO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

454.4
MW (Da)
1.71
ALogP
4
HBA
4
HBD
155.2
PSA (Ų)
0.20
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H28O8P2S
MW 454.42
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 0.27

Literature References

PubMed DOI Target Context # Activities
17963374 10.1021/jm700991k MCF7 1
17963374 10.1021/jm700991k NCI-H460 1
17963374 10.1021/jm700991k SF-268 1

Data from ChEMBL 36 via Core Engine