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Compound Detail

CHEMBL3554707

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O=C(Cc1ccsc1)N1C[C@@H]2CN(Cc3ccoc3)CCO[C@@H]2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3554707
Phase Preclinical
Structure Type MOL
InChI Key JQJJYRRIUUUZKJ-DLBZAZTESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
2.24
ALogP
5
HBA
0
HBD
45.9
PSA (Ų)
0.85
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 C18H22N2O3S
MW 346.45
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.46

Literature References

PubMed DOI Target Context # Activities
32078764 10.1021/acsinfecdis.9b00482 Plasmodium berghei 2
32078764 10.1021/acsinfecdis.9b00482 HepG2 1
32078764 10.1021/acsinfecdis.9b00482 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine