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Compound Detail

CHEMBL255909

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CN(C)CCc1cn(-c2nc(C(=O)[O-])cs2)c2cc(Cl)ccc12.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL255909
Phase Preclinical
Structure Type MOL
InChI Key FHBCISVJYBZZFY-UHFFFAOYSA-M
Parent Compound CHEMBL1206269
Active Moiety CHEMBL1206269
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

349.8
MW (Da)
3.54
ALogP
5
HBA
1
HBD
58.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15ClN3NaO2S
MW 371.83
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.23

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