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Compound Detail

CHEMBL4746944

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CC(C)=CCCP(=O)([O-])[O-].[Na+].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4746944
Phase Preclinical
Structure Type MOL
InChI Key HLCBBCNYTKWPEL-UHFFFAOYSA-L
Parent Compound CHEMBL4802617
Active Moiety CHEMBL4802617
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

164.1
MW (Da)
1.52
ALogP
1
HBA
2
HBD
57.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H11Na2O3P
MW 208.10
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness 1.54

Literature References

PubMed DOI Target Context # Activities
33488975 10.1021/acsmedchemlett.0c00586 Butyrophilin subfamily 3 member A1 1

Data from ChEMBL 36 via Core Engine