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Compound Detail

CHEMBL34741

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CCC(=O)OC(C)OC(=O)C(C)c1ccc2c(c1)Oc1ccccc1CO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL34741
Phase Preclinical
Structure Type MOL
InChI Key YWAQBGVTMMVZGE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
4.32
ALogP
6
HBA
0
HBD
71.1
PSA (Ų)
0.58
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 C21H22O6
MW 370.40
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.28

Literature References

PubMed DOI Target Context # Activities
3488405 10.1021/jm00158a020 Rattus norvegicus 3
3488405 10.1021/jm00158a020 Prostaglandin G/H synthase (cyclooxygenase) 1

Data from ChEMBL 36 via Core Engine