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Compound Detail

CHEMBL2017019

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NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N4CCC5CCCCC5C4)ncnc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2017019
Phase Preclinical
Structure Type MOL
InChI Key GKCLRLPMQAYRLM-UIKOTCIDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

468.5
MW (Da)
-0.32
ALogP
11
HBA
3
HBD
165.9
PSA (Ų)
0.53
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H28N6O6S
MW 468.54
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 0.25

Literature References

PubMed DOI Target Context # Activities
24900352 10.1021/ml2000615 Unchecked 3
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