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Compound Detail

CHEMBL3103325

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O=S(=O)(N1CCOCC1)N1CCN(c2ccc(Cl)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3103325
Phase Preclinical
Structure Type MOL
InChI Key KKMDKVKAXQLVIU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

345.9
MW (Da)
1.04
ALogP
4
HBA
0
HBD
53.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H20ClN3O3S
MW 345.85
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.88

Literature References

PubMed DOI Target Context # Activities
24411201 10.1016/j.bmc.2013.12.050 Aldo-keto reductase family 1 member C3 1

Data from ChEMBL 36 via Core Engine