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Compound Detail

CHEMBL4865549

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CS(=O)(=O)c1cccc([C@H]2CN(CC(F)(F)F)CC[C@@H]2Oc2cc(F)c(S(=O)(=O)Nc3cccc(F)n3)cc2F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4865549
Phase Preclinical
Structure Type MOL
InChI Key GIAWKLRZNOQBJG-XLIONFOSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

623.6
MW (Da)
4.50
ALogP
7
HBA
1
HBD
105.7
PSA (Ų)
0.29
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23F6N3O5S2
MW 623.60
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness -1.41

Literature References

PubMed DOI Target Context # Activities
34044121 10.1016/j.bmcl.2021.128133 ADMET 2
34044121 10.1016/j.bmcl.2021.128133 Sodium channel protein type 5 subunit alpha 1

Data from ChEMBL 36 via Core Engine