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

CHEMBL258304

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
O=C([O-])c1ccnc(Cc2cc(Cl)ccc2OCc2ccccc2)c1.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL258304
Phase Preclinical
Structure Type MOL
InChI Key RDZUFGPZNXDWET-UHFFFAOYSA-M
Parent Compound CHEMBL1206297
Active Moiety CHEMBL1206297
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

353.8
MW (Da)
4.60
ALogP
3
HBA
1
HBD
59.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15ClNNaO3
MW 375.79
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.80

Literature References

PubMed DOI Target Context # Activities
18262416 10.1016/j.bmcl.2008.01.071 Prostaglandin E2 receptor EP1 subtype 1
18262416 10.1016/j.bmcl.2008.01.071 No relevant target 1

Data from ChEMBL 36 via Core Engine