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Compound Detail

CHEMBL18883

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C[C@@H](C(=O)O)c1ccc(C[C@@H]2CCC[C@H]2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL18883
Phase Preclinical
Structure Type MOL
InChI Key SHAHPWSYJFYMRX-DDTOSNHZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

248.3
MW (Da)
2.58
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.86
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 C15H20O3
MW 248.32
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.92

Literature References

PubMed DOI Target Context # Activities
14980665 10.1016/j.bmcl.2003.12.047 Prostaglandin G/H synthase 2 2
14980665 10.1016/j.bmcl.2003.12.047 Prostaglandin G/H synthase 1 2

Data from ChEMBL 36 via Core Engine