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

CHEMBL549530

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
CC(C)(C)c1ccc(CN(Cc2cccc(CCC(=O)O)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL549530
Phase Preclinical
Structure Type MOL
InChI Key UETFHNPJUUNGJW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

500.1
MW (Da)
6.05
ALogP
3
HBA
1
HBD
74.7
PSA (Ų)
0.39
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H30ClNO4S
MW 500.06
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.17

Literature References

PubMed DOI Target Context # Activities
19250823 10.1016/j.bmcl.2009.01.059 Prostaglandin E2 receptor EP2 subtype 2
19250823 10.1016/j.bmcl.2009.01.059 Prostaglandin E2 receptor EP4 subtype 1

Data from ChEMBL 36 via Core Engine