PEVONEDISTAT

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Synonyms
Status
Molecule Category Free-form
UNII S3AZD8D215

Structure

InChI Key MPUQHZXIXSTTDU-QXGSTGNESA-N
Smiles NS(=O)(=O)OC[C@@H]1C[C@@H](n2ccc3c(N[C@H]4CCc5ccccc54)ncnc32)C[C@@H]1O
InChI
InChI=1S/C21H25N5O4S/c22-31(28,29)30-11-14-9-15(10-19(14)27)26-8-7-17-20(23-12-24-21(17)26)25-18-6-5-13-3-1-2-4-16(13)18/h1-4,7-8,12,14-15,18-19,27H,5-6,9-11H2,(H2,22,28,29)(H,23,24,25)/t14-,15+,18-,19-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H25N5O4S
Molecular Weight 443.53
AlogP 2.06
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 132.36
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
NEDD8 activating enzyme inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Ligase
- 5 - - -
Unclassified protein
- 4.7-180 - - 90.5
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
108 4.7-630 - - 90.5

Cross References

Resources Reference
ChEBI 145535
ChEMBL CHEMBL1231160
DrugBank DB11759
FDA SRS S3AZD8D215
PDB B39
PubChem 16720766
SureChEMBL SCHEMBL192875
ZINC ZINC000058660702
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