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Compound Detail

CHEMBL514796

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N#CC1=C(N)OC2=C(C(=O)CCC2)C1c1ccccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL514796
Phase Preclinical
Structure Type MOL
InChI Key MCQOOYJMMNHPQP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

284.3
MW (Da)
2.64
ALogP
4
HBA
1
HBD
76.1
PSA (Ų)
0.86
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13FN2O2
MW 284.29
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -1.51

Literature References

PubMed DOI Target Context # Activities
19161278 10.1021/jm8013458 Excitatory amino acid transporter 1 2
19161278 10.1021/jm8013458 Excitatory amino acid transporter 3 2
19161278 10.1021/jm8013458 Excitatory amino acid transporter 2 2
20857912 10.1021/jm1009154 Excitatory amino acid transporter 1 2
20857912 10.1021/jm1009154 Excitatory amino acid transporter 2 1
20857912 10.1021/jm1009154 Excitatory amino acid transporter 3 1

Data from ChEMBL 36 via Core Engine