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Compound Detail

CHEMBL1164726

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CC(C)/C=C1\SC(NC(=O)C(CC2CCOCC2)c2ccc(S(=O)(=O)C3CC3)cc2)=NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1164726
Phase Preclinical
Structure Type MOL
InChI Key CTTZYPQDSHINEP-BKUYFWCQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

490.6
MW (Da)
3.81
ALogP
6
HBA
1
HBD
101.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30N2O5S2
MW 490.65
Aromatic Rings 1
Heavy Atoms 33
NP-Likeness -0.80

Literature References

PubMed DOI Target Context # Activities
20472448 10.1016/j.bmc.2010.04.038 Hexokinase-4 2

Data from ChEMBL 36 via Core Engine