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Compound Detail

CHEMBL377098

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Cc1ccc2c(c1C)CN(S(C)(=O)=O)CC2c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL377098
Phase Preclinical
Structure Type MOL
InChI Key GQVAAGPDZYINJD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
3.21
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21NO2S
MW 315.44
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.50

Literature References

PubMed DOI Target Context # Activities
16458511 10.1016/j.bmcl.2006.01.056 Kinesin-like protein KIF11 1
16458511 10.1016/j.bmcl.2006.01.056 A2780 1

Data from ChEMBL 36 via Core Engine