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Compound Detail

CHEMBL1673312

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COc1ccc(C=O)cc1OC1CCOC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1673312
Phase Preclinical
Structure Type MOL
InChI Key OXTVYOFHMVWDQQ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

222.2
MW (Da)
1.68
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.73
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 C12H14O4
MW 222.24
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.50

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
20625148 10.1128/aac.00313-10 ADMET 1
20625148 10.1128/aac.00313-10 Cyclic nucleotide specific phosphodiesterase 1
20625148 10.1128/aac.00313-10 Trypanosoma cruzi 1

Data from ChEMBL 36 via Core Engine