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Compound Detail

CHEMBL3092990

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CCCCOC(=O)NS(=O)(=O)c1ccc(CC(C)C)cc1-c1ccc(NC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3092990
Phase Preclinical
Structure Type MOL
InChI Key NPDBSLTVRQRTPR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

418.6
MW (Da)
4.81
ALogP
5
HBA
2
HBD
84.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H30N2O4S
MW 418.56
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.41

Literature References

PubMed DOI Target Context # Activities
24200932 10.1016/j.bmc.2013.10.017 Unchecked 2

Data from ChEMBL 36 via Core Engine