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Compound Detail

CHEMBL3554704

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O=C(c1cscn1)N1CCC2(CCN(Cc3cccs3)CC2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3554704
Phase Preclinical
Structure Type MOL
InChI Key OUFSLPOZSGOPDN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

347.5
MW (Da)
3.33
ALogP
5
HBA
0
HBD
36.4
PSA (Ų)
0.85
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 C17H21N3OS2
MW 347.51
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -2.38

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