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Compound Detail

CHEMBL255669

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CC(C)Cc1cn(CC(=O)[O-])c2cc(Cl)ccc12.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL255669
Phase Preclinical
Structure Type MOL
InChI Key RRCHSBOPVJKAFL-UHFFFAOYSA-M
Parent Compound CHEMBL1206264
Active Moiety CHEMBL1206264
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

265.7
MW (Da)
3.58
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15ClNNaO2
MW 287.72
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.85

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