Showing entry for 2-Ethylhexanoic acid


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0002409
Compound Name2-Ethylhexanoic acid
Structure
FormulaC8H16O2
InchiKeyOBETXYAYXDNJHR-UHFFFAOYSA-N
SMILESCCCCC(CC)C(O)=O
InchiInChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
IUPAC2-ethylhexanoic acid
Molecular Weight144.21
Pubchem Id8697
Chembl IdCHEMBL1162485
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 CHEMBL1162485
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
Q80UJ1 BXGT017282 Solute carrier family 22 member 20 reviewed - Slc22a20 Ki '=' 6606 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 100 nM
Q80UJ1 BXGT017282 Solute carrier family 22 member 20 reviewed - Slc22a20 Ki '=' 6600 nM
P10275 BXGT007552 Androgen receptor reviewed Nuclear receptor AR Potency - 28183 nM
P00918 BXGT005690 Carbonic anhydrase 2 reviewed - CA2 Ki '=' 93000 nM
Q8VC69 BXGT018912 Solute carrier family 22 member 6 reviewed - Slc22a6 Ki '=' 56234 nM
P00915 BXGT005689 Carbonic anhydrase 1 reviewed - CA1 Ki '=' 450000 nM
Q8VC69 BXGT018912 Solute carrier family 22 member 6 reviewed - Slc22a6 Ki '=' 57000 nM
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 31622 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00823 Fruits 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