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Compound Detail

CHEMBL2017014

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NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(NCC4CCCO4)ncnc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2017014
Phase Preclinical
Structure Type MOL
InChI Key BCVUNUMFMTTZPQ-YXYADJKSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

430.4
MW (Da)
-1.74
ALogP
12
HBA
4
HBD
183.9
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H22N6O7S
MW 430.44
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.31

Literature References

PubMed DOI Target Context # Activities
24900352 10.1021/ml2000615 Unchecked 2
24900352 10.1021/ml2000615 SUMO-activating enzyme 1
24900352 10.1021/ml2000615 Ubiquitin-like modifier-activating enzyme 5 1
24900352 10.1021/ml2000615 K562 1

Data from ChEMBL 36 via Core Engine