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Compound Detail

CHEMBL5201980

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NS(=O)(=O)OC[C@@H]1C[C@@H](n2ncc3c(N[C@H]4CCc5ccccc54)ccnc32)C[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5201980
Phase Preclinical
Structure Type MOL
InChI Key LJIXMZKFSNKBMF-ZDUSMZPESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

443.5
MW (Da)
2.06
ALogP
8
HBA
3
HBD
132.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N5O4S
MW 443.53
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.47

Literature References

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

Data from ChEMBL 36 via Core Engine