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Compound Detail

CHEMBL392255

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N[C@@H](CSCC1c2ccccc2-c2ccccc21)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL392255
Phase Preclinical
Structure Type MOL
InChI Key SFRBQYRAZQGDPW-INIZCTEOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

299.4
MW (Da)
2.94
ALogP
3
HBA
2
HBD
63.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17NO2S
MW 299.39
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.22

Literature References

PubMed DOI Target Context # Activities
17524640 10.1016/j.bmcl.2007.04.101 Kinesin-like protein KIF11 1
17524640 10.1016/j.bmcl.2007.04.101 HeLa 1

Data from ChEMBL 36 via Core Engine