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Compound Detail

CHEMBL2393193

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Cc1ncccc1CNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2393193
Phase Preclinical
Structure Type MOL
InChI Key LGPJTHLZYRDJLT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

390.5
MW (Da)
1.73
ALogP
5
HBA
2
HBD
100.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N4O4S
MW 390.47
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -2.27

Literature References

PubMed DOI Target Context # Activities
23668988 10.1016/j.bmcl.2013.04.040 A2780 2
23668988 10.1016/j.bmcl.2013.04.040 Cytochrome P450 2C9 1
23668988 10.1016/j.bmcl.2013.04.040 Nicotinamide phosphoribosyltransferase 1

Data from ChEMBL 36 via Core Engine