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Compound Detail

CHEMBL458055

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Cc1cccc(S(=O)(=O)NC(=O)NCCNCCNC(=O)NS(=O)(=O)c2cccc(C)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL458055
Phase Preclinical
Structure Type MOL
InChI Key TUMFLMZHCVJRAN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

497.6
MW (Da)
0.57
ALogP
7
HBA
5
HBD
162.6
PSA (Ų)
0.30
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H27N5O6S2
MW 497.60
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.88

Literature References

PubMed DOI Target Context # Activities
18650089 10.1016/j.bmcl.2008.06.103 Fructose-1,6-bisphosphatase 1 2

Data from ChEMBL 36 via Core Engine