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Compound Detail

CHEMBL4226258

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O=C(O)c1ccc(C[C@@H]2Sc3ccccc3N(Cc3ccccc3C(F)(F)F)C2=O)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4226258
Phase Preclinical
Structure Type MOL
InChI Key RLZSATSOGVUQQP-NRFANRHFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

475.5
MW (Da)
5.79
ALogP
3
HBA
1
HBD
57.6
PSA (Ų)
0.47
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H17F4NO3S
MW 475.46
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.19

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