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

CHEMBL441807

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
CP(=O)(O)C(CCCc1ccc(-c2ccccc2)cc1)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL441807
Phase Preclinical
Structure Type MOL
InChI Key VGENPYWOFIUGGK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.3
MW (Da)
4.08
ALogP
2
HBA
3
HBD
94.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22O5P2
MW 368.31
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.07

Activity Summary

IC50 1 meas. best 6.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Squalene synthase
CHEMBL3815
 IC50 6.31 6.31 490.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Squalene synthase IC50 = 490.0 nM 6.31 Inhibition rat liver microsomal squalene synthase 7629799

Literature References

PubMed DOI Target Context # Activities
7629799 10.1021/jm00014a012 Squalene synthase 1

Data from ChEMBL 36 via Core Engine