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Compound Detail

CHEMBL4226235

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O=C(NO)C1CN(CCCO)CCN1S(=O)(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4226235
Phase Preclinical
Structure Type MOL
InChI Key HNDNDFBRQSQDEM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
-0.75
ALogP
6
HBA
3
HBD
110.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H21N3O5S
MW 343.41
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.43

Literature References

PubMed DOI Target Context # Activities
29691139 10.1016/j.bmcl.2018.04.010 Falcilysin 1
29691139 10.1016/j.bmcl.2018.04.010 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine