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Compound Detail

CHEMBL457834

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O=C(NCCNCCNC(=O)NS(=O)(=O)c1cccc(Cl)c1)NS(=O)(=O)c1cccc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL457834
Phase Preclinical
Structure Type MOL
InChI Key CBHFABRJMZVXOE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

538.4
MW (Da)
1.26
ALogP
7
HBA
5
HBD
162.6
PSA (Ų)
0.28
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21Cl2N5O6S2
MW 538.44
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.96

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