SULFORAPHANE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 41684WL1GL

Structure
InChI Key SUVMJBTUFCVSAD-UHFFFAOYSA-N
Smile C[S+]([O-])CCCCN=C=S
InChI
InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11NOS2
Molecular Weight 177.29
AlogP 1.25
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 29.43
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 10.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 9000 - - 69
Enzyme
- 2200-11000 - - 69
Transcription factor
580-19080 15849 - - 42
Unclassified protein
870 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Autistic Disorder 3 D001321 ClinicalTrials
Schizophrenia 2 D012559 ClinicalTrials
Diabetes Mellitus, Type 2 2 D003924 ClinicalTrials
Child Development Disorders, Pervasive 2 D002659 ClinicalTrials
Lung Neoplasms 2 D008175 ClinicalTrials
Aging 2 D000375 ClinicalTrials
Psychotic Disorders 2 D011618 ClinicalTrials
Depressive Disorder 2 D003866 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 1 D064129 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials
Melanoma 0 D008545 ClinicalTrials
Skin Aging 0 D015595 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 142825-10-3
ChEBI 47807
ChEMBL CHEMBL48802
EPA CompTox DTXSID8036732
FDA SRS 41684WL1GL
Human Metabolome Database HMDB0005792
Guide to Pharmacology 6569
PubChem 9577379
SureChEMBL SCHEMBL105202
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