BUTHIONINE SULFOXIMINE

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: LW4108Q0BV

Structure
InChI Key WDFRNLYXRQXXFS-CVSPRKDYSA-N
Smile CCCC[S+](=N)([O-])CC[C@H](N)C(=O)O
InChI
InChI=1S/C8H18N2O3S/c1-2-3-5-14(10,13)6-4-7(9)8(11)12/h7H,2-6,9H2,1H3,(H2-,10,11,12,13)/t7-,14?/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H18N2O3S
Molecular Weight 222.31
AlogP 0.64
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 104.24
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 14.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Ligase
- - - 49300 9.7

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Melanoma 1 D008545 ClinicalTrials
Neuroblastoma 1 D009447 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 5072-26-4
ChEMBL CHEMBL1609891
FDA SRS LW4108Q0BV
PubChem 21157
CONTENTS