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Compound Detail

CHEMBL425812

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CCCCCCCCCCCCCCCCS(=O)(=O)NCCCCCCCCCCCCN
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL425812
Phase Preclinical
Structure Type MOL
InChI Key DRICMODFOSKZCN-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

488.9
MW (Da)
8.25
ALogP
3
HBA
2
HBD
72.2
PSA (Ų)
0.11
QED
1
Ro5 Violations
28
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H60N2O2S
MW 488.87
Aromatic Rings 0
Heavy Atoms 33
NP-Likeness -0.35

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17256835 10.1021/jm061198m HEK293 1

Data from ChEMBL 36 via Core Engine