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Compound Detail

CHEMBL1649963

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Cc1nnc(-c2ccccc2)n1-c1ccccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1649963
Phase Preclinical
Structure Type MOL
InChI Key PGPLCNBMEWQXST-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

253.3
MW (Da)
3.38
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12FN3
MW 253.28
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.88

Literature References

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

Data from ChEMBL 36 via Core Engine