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Compound Detail

CHEMBL4202914

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COP(=O)(CC/C=C(\C)CO)OC

Basic Information

ChEMBL ID CHEMBL4202914
Phase Preclinical
Structure Type MOL
InChI Key YYSYSJUCUZQTME-VMPITWQZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

208.2
MW (Da)
1.80
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.53
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 C8H17O4P
MW 208.19
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 1.57

Literature References

PubMed DOI Target Context # Activities
30199251 10.1021/acs.jmedchem.8b00655 Butyrophilin subfamily 3 member A1 1

Data from ChEMBL 36 via Core Engine