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Compound Detail

CHEMBL538095

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Cl.O=C(O)c1c[nH]c(Cc2cc(Cl)ccc2OCc2ccccc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL538095
Phase Preclinical
Structure Type MOL
InChI Key UJNAONJNSXWHOX-UHFFFAOYSA-N
Parent Compound CHEMBL1189144
Active Moiety CHEMBL1189144
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

342.8
MW (Da)
3.93
ALogP
3
HBA
2
HBD
75.2
PSA (Ų)
0.71
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 C18H16Cl2N2O3
MW 379.24
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.83

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