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Compound Detail

CHEMBL103031

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

Basic Information

ChEMBL ID CHEMBL103031
Phase Preclinical
Structure Type MOL
InChI Key BPVQUZSXLLFLFJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

262.4
MW (Da)
2.58
ALogP
4
HBA
4
HBD
99.7
PSA (Ų)
0.29
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H22N4S2
MW 262.45
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness -0.18

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