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Compound Detail

CHEMBL170267

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CCOC(=O)c1ccc(Cn2c(=O)c3c(nc(S)n3C)n(C)c2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL170267
Phase Preclinical
Structure Type MOL
InChI Key BZXRLKVOZUWFNH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
0.95
ALogP
9
HBA
1
HBD
88.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N4O4S
MW 374.42
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.30

Literature References

PubMed DOI Target Context # Activities
8568809 10.1021/jm940845j Tumor necrosis factor 1

Data from ChEMBL 36 via Core Engine