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Compound Detail

CHEMBL5183530

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NS(=O)(=O)OC[C@@H]1C[C@@H](n2nnc3c(Nc4cnc5ccccn45)ncnc32)C[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5183530
Phase Preclinical
Structure Type MOL
InChI Key DCRPSRMMMSMTNJ-TUAOUCFPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

445.5
MW (Da)
0.14
ALogP
12
HBA
3
HBD
175.4
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19N9O4S
MW 445.47
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.10

Literature References

PubMed DOI Target Context # Activities
33857374 10.1021/acs.jmedchem.1c00242 NEDD8 activating enzyme 1

Data from ChEMBL 36 via Core Engine