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Compound Detail

CHEMBL4213464

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CC(=O)N1CCC(CCNCc2cc(-c3cc(-c4cccc(C(F)(F)F)c4)ccc3Oc3ccc(S(=O)(=O)Nc4ncns4)cc3C#N)ccn2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4213464
Phase Preclinical
Structure Type MOL
InChI Key QONSKOLQCWGXEB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

761.9
MW (Da)
7.49
ALogP
10
HBA
2
HBD
150.2
PSA (Ų)
0.12
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H34F3N7O4S2
MW 761.85
Aromatic Rings 5
Heavy Atoms 53
NP-Likeness -1.39

Literature References

PubMed DOI Target Context # Activities
29029933 10.1016/j.bmcl.2017.09.056 Sodium channel protein type 9 subunit alpha 1

Data from ChEMBL 36 via Core Engine