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Compound Detail

CHEMBL4750782

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S=C(SSC(=S)N1CC2CCCCC2C1)N1CC2CCCCC2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4750782
Phase Preclinical
Structure Type MOL
InChI Key LXRNULBCRQKWPN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

400.7
MW (Da)
5.18
ALogP
4
HBA
0
HBD
6.5
PSA (Ų)
0.41
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H28N2S4
MW 400.70
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness -0.24

Literature References

PubMed DOI Target Context # Activities
32711108 10.1016/j.ejmech.2020.112500 Fructose-1,6-bisphosphatase 1 2

Data from ChEMBL 36 via Core Engine