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

CHEMBL3586358

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
COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3586358
Phase Preclinical
Structure Type MOL
InChI Key STCNCIGJHHIFOF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

416.5
MW (Da)
5.01
ALogP
5
HBA
0
HBD
51.7
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20N2O3S
MW 416.50
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.08

Literature References

PubMed DOI Target Context # Activities
26061158 10.1021/acs.jmedchem.5b00567 Prostaglandin E2 receptor EP2 subtype 2

Data from ChEMBL 36 via Core Engine