Showing entry for 4815-29-6


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0031764
Compound Name4815-29-6
Structure
FormulaC10H13NO2S
InchiKeyBOJXCJDYZJSPMZ-UHFFFAOYSA-N
SMILESCCOC(=O)c1c(N)sc2c1CCC2
InchiInChI=1S/C10H13NO2S/c1-2-13-10(12)8-6-4-3-5-7(6)14-9(8)11/h2-5,11H2,1H3
IUPACethyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Molecular Weight211.07
Pubchem Id264105
Chembl IdCHEMBL341097
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 CHEMBL341097
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
P30542 BXGT009436 Adenosine receptor A1 reviewed G-protein coupled receptor ADORA1 AE Score '=' 0 %
P30542 BXGT009436 Adenosine receptor A1 reviewed G-protein coupled receptor ADORA1 Inhibition '=' 58 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00948 Artemisia apiacea Artemisia apiacea Medicinal Plant
BXGF04271 Artemisia annua Artemisia annua Medicinal Plant
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