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Compound Detail

CHEMBL1649953

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Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1649953
Phase Preclinical
Structure Type MOL
InChI Key UQQCAUXUXPIRTQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
5.05
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.53
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16FN3
MW 329.38
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.56

Literature References

PubMed DOI Target Context # Activities
21141920 10.1021/jm101031u Sodium- and chloride-dependent glycine transporter 1 2
21141920 10.1021/jm101031u Sodium- and chloride-dependent glycine transporter 2 1
21141920 10.1021/jm101031u Unchecked 1
21141920 10.1021/jm101031u No relevant target 1

Data from ChEMBL 36 via Core Engine