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Compound Detail

CHEMBL50976

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COc1cc(OC)c2c(CCC(=O)O)c(C(=O)O)[nH]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL50976
Phase Preclinical
Structure Type MOL
InChI Key QDERWHPWSJPPPZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

293.3
MW (Da)
1.90
ALogP
4
HBA
3
HBD
108.8
PSA (Ų)
0.75
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 C14H15NO6
MW 293.28
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.22

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C3MD00309D Uracil nucleotide/cysteinyl leukotriene receptor 2
1534125 10.1021/jm00088a014 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine