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

CHEMBL109738

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
CCCOc1c(OC)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CCO

Basic Information

ChEMBL ID CHEMBL109738
Phase Preclinical
Structure Type MOL
InChI Key WXIDMVGKJBAEFP-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

510.6
MW (Da)
3.87
ALogP
9
HBA
1
HBD
109.8
PSA (Ų)
0.45
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H34O9S
MW 510.61
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness 0.04

Activity Summary

Ki 2 meas. best 7.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL250
Ki 7.23 7.085 59.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80818-0 Platelet-activating factor receptor 2

Data from ChEMBL 36 via Core Engine