Showing entry for Sampangine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0031514
Compound NameSampangine
Structure
FormulaC15H8N2O
InchiKeyBWQKHOMAOVUASZ-UHFFFAOYSA-N
SMILESO=C1c2ccccc2c2c3c1nccc3ccn2
InchiInChI=1S/C15H8N2O/c18-15-11-4-2-1-3-10(11)13-12-9(5-7-16-13)6-8-17-14(12)15/h1-8H
IUPAC
Molecular Weight232.06
Pubchem Id387195
Chembl IdCHEMBL435201
Targets of Information Source
DrugBank n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
PDB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Binding DB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
CHEMBL CHEMBL435201
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
P05107 BXGT006316 Integrin beta-2 reviewed Receptor ITGB2 MIC '<' 0 ug.mL-1
P05362 BXGT006350 Intercellular adhesion molecule 1 reviewed - ICAM1 MIC '<' 0 ug.mL-1
P20701 BXGT008591 Integrin alpha-L reviewed - ITGAL MIC '<' 0 ug.mL-1
P05107 BXGT006316 Integrin beta-2 reviewed Receptor ITGB2 IC50 '>' 10 ug.mL-1
P05362 BXGT006350 Intercellular adhesion molecule 1 reviewed - ICAM1 IC50 '>' 10 ug.mL-1
P20701 BXGT008591 Integrin alpha-L reviewed - ITGAL IC50 '>' 10 ug.mL-1
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00446 Sugar apple Annona squamosa Fruits
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease