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Compound Detail

CHEMBL4521062

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C/C(=C\CCCCP(=O)([O-])[O-])CO.[Na+].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4521062
Phase Preclinical
Structure Type MOL
InChI Key YPQAMEGGXSMQCL-RMZRELHQSA-L
Parent Compound CHEMBL4595768
Active Moiety CHEMBL4595768
0
Targets
7
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

208.2
MW (Da)
1.27
ALogP
2
HBA
3
HBD
77.8
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H15Na2O4P
MW 252.16
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 2.12

Activity Summary

IC50 7 meas.

Literature References

PubMed DOI Target Context # Activities
31268699 10.1021/acs.jmedchem.9b00825 Butyrophilin subfamily 3 member A1 10

Data from ChEMBL 36 via Core Engine