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Compound Detail

CHEMBL4226202

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CN1c2ncccc2N(Cc2ccccc2C(F)(F)F)C(=O)[C@H]1Cc1ccc(C(N)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4226202
Phase Preclinical
Structure Type MOL
InChI Key QAGAFQLVEATCTL-HXUWFJFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

454.4
MW (Da)
3.79
ALogP
4
HBA
1
HBD
79.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21F3N4O2
MW 454.45
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.91

Literature References

PubMed DOI Target Context # Activities
28876062 10.1021/acs.jmedchem.7b00956 Glycine receptor alpha-3/beta 4

Data from ChEMBL 36 via Core Engine