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Compound Detail

CHEMBL258374

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O=C([O-])c1csc(-n2ccc3ccc(Cl)cc32)n1.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL258374
Phase Preclinical
Structure Type MOL
InChI Key GJCXACXCKLGFEK-UHFFFAOYSA-M
Parent Compound CHEMBL1206298
Active Moiety CHEMBL1206298
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

278.7
MW (Da)
3.44
ALogP
4
HBA
1
HBD
55.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H6ClN2NaO2S
MW 300.70
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.53

Literature References

PubMed DOI Target Context # Activities
18378447 10.1016/j.bmcl.2008.03.018 Prostaglandin E2 receptor EP1 subtype 1

Data from ChEMBL 36 via Core Engine