PEVONEDISTAT

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: S3AZD8D215

Structure
InChI Key MPUQHZXIXSTTDU-QXGSTGNESA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR NEDD8 activating enzyme inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Aminoacyltransferase
- 8200 - - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase TAO subfamily
- - - - 35
Enzyme Ligase
30-3400 0.26-4 - - -
Enzyme
30-3400 0.26-4 - - 35
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -22.03-0.46
Unclassified protein
30-3400 0.26-4 - - 90.5

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia, Myeloid, Acute 3 D015470 ClinicalTrials
Myelodysplastic Syndromes 2 D009190 ClinicalTrials
Cholangiocarcinoma 2 D018281 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Leukemia, Myelomonocytic, Chronic 2 D015477 ClinicalTrials
Carcinoma, Hepatocellular 2 D006528 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Leukemia 1 D007938 ClinicalTrials
Hematologic Neoplasms 1 D019337 ClinicalTrials
Multiple Myeloma 1 D009101 ClinicalTrials
Melanoma 1 D008545 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Lymphoma, Follicular 1 D008224 ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-Lymphoma 1 D054198 ClinicalTrials
Lymphoma, Large B-Cell, Diffuse 1 D016403 ClinicalTrials
Mesothelioma 1 D008654 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 905579-51-3
ChEBI 145535
ChEMBL CHEMBL1231160
DrugBank DB11759
FDA SRS S3AZD8D215
PDB B39
PubChem 16720766
SureChEMBL SCHEMBL192875
ZINC ZINC000058660702
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