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Compound Detail

CHEMBL3322294

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NC(=O)c1nonc1COc1ccc2c(c1)C1CN(C(=O)C3CCCCC3)CC(=O)N1CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3322294
Phase Preclinical
Structure Type MOL
InChI Key OQCKWZMTFGYPKE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

453.5
MW (Da)
1.60
ALogP
7
HBA
1
HBD
131.9
PSA (Ų)
0.73
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 C23H27N5O5
MW 453.50
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.05

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