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Compound Detail

CHEMBL433998

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N[C@@H](CSC(c1ccccc1)c1ccccc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL433998
Phase Preclinical
Structure Type MOL
InChI Key SHOGZCIBPYFZRP-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

287.4
MW (Da)
2.92
ALogP
3
HBA
2
HBD
63.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17NO2S
MW 287.38
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.11

Literature References

PubMed DOI Target Context # Activities
20138511 10.1016/j.bmcl.2010.01.088 Kinesin-like protein KIF11 2
17524640 10.1016/j.bmcl.2007.04.101 Kinesin-like protein KIF11 1
17524640 10.1016/j.bmcl.2007.04.101 HeLa 1
18266314 10.1021/jm070606z Kinesin-like protein KIF11 1
18266314 10.1021/jm070606z HeLa 1

Data from ChEMBL 36 via Core Engine