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Compound Detail

CHEMBL1813186

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C=CC(O)C1OCC(/C=C/CCC)=C1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1813186
Phase Preclinical
Structure Type MOL
InChI Key AXKRXBDIECXYJX-VOTSOKGWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

238.3
MW (Da)
1.67
ALogP
3
HBA
2
HBD
66.8
PSA (Ų)
0.69
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 C13H18O4
MW 238.28
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 2.09

Literature References

PubMed DOI Target Context # Activities
21510613 10.1021/np1005983 Unchecked 1
21510613 10.1021/np1005983 Proprotein convertase subtilisin/kexin type 7 1

Data from ChEMBL 36 via Core Engine