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Compound Detail

CHEMBL3322289

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COC(=O)c1nonc1C(=O)N1CC(=O)N2CCc3ccccc3C2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3322289
Phase Preclinical
Structure Type MOL
InChI Key JICHGBXONQFZRL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

356.3
MW (Da)
0.44
ALogP
7
HBA
0
HBD
105.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16N4O5
MW 356.34
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.99

Literature References

PubMed DOI Target Context # Activities
25016371 10.1016/j.ejmech.2014.07.007 Schistosoma mansoni 4
25016371 10.1016/j.ejmech.2014.07.007 Thioredoxin glutathione reductase 1

Data from ChEMBL 36 via Core Engine