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Compound Detail

CHEMBL102640

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N=C(N)SCCCCCCSC(=N)N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL102640
Phase Preclinical
Structure Type MOL
InChI Key DYGQVQHELWCVGV-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

234.4
MW (Da)
1.80
ALogP
4
HBA
4
HBD
99.7
PSA (Ų)
0.31
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H18N4S2
MW 234.39
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness -0.21

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
7636868 10.1021/jm00016a008 Deoxyhypusine synthase 1
7636868 10.1021/jm00016a008 CHO 1

Data from ChEMBL 36 via Core Engine