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Compound Detail

CHEMBL416203

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CC(C)c1ccc(/C(=C/CC(N)C(=O)[O-])c2ccc(F)cc2F)cc1.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL416203
Phase Preclinical
Structure Type MOL
InChI Key LVXOGLBFCLZVBY-LFMIJCLESA-M
Parent Compound CHEMBL1207569
Active Moiety CHEMBL1207569
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
4.32
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.82
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 C20H20F2NNaO2
MW 367.37
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.30

Literature References

PubMed DOI Target Context # Activities
11378357 10.1016/s0960-894x(01)00253-0 Sodium- and chloride-dependent glycine transporter 2 1
11378357 10.1016/s0960-894x(01)00253-0 Sodium- and chloride-dependent glycine transporter 1 1

Data from ChEMBL 36 via Core Engine