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Compound Detail

CHEMBL457848

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

Basic Information

ChEMBL ID CHEMBL457848
Phase Preclinical
Structure Type MOL
InChI Key CWGGYDXBOCSMMD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

526.6
MW (Da)
1.78
ALogP
7
HBA
4
HBD
159.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H30N4O7S2
MW 526.64
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.93

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