Showing entry for Icosa-5,8,11,14-Tetraynoic Acid


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0020344
Compound NameIcosa-5,8,11,14-Tetraynoic Acid
Structure
FormulaC20H24O2
InchiKeyMGLDCXPLYOWQRP-UHFFFAOYSA-N
SMILESCCCCCC#CCC#CCC#CCC#CCCCC(=O)O
InchiInChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)
IUPACicosa-5,8,11,14-tetraynoic acid
Molecular Weight296.18
Pubchem Id1780
Chembl IdCHEMBL458328
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 31752
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
reviewed BXGT016113 Dual specificity protein phosphatase 6 reviewed Dusp6 - 30400 - -
reviewed BXGT006234 Gag-Pol polyprotein reviewed gag-pol - 794.00003 - -
reviewed BXGT009270 Dual specificity protein phosphatase 1 reviewed DUSP1 - 6529 - -
reviewed BXGT016113 Dual specificity protein phosphatase 6 reviewed Dusp6 - 38313 - -
reviewed BXGT009270 Dual specificity protein phosphatase 1 reviewed DUSP1 - 13110 - -
reviewed BXGT009270 Dual specificity protein phosphatase 1 reviewed DUSP1 - 12056 - -
reviewed BXGT016113 Dual specificity protein phosphatase 6 reviewed Dusp6 - >50000 - -
reviewed BXGT016113 Dual specificity protein phosphatase 6 reviewed Dusp6 - 25100 - -
reviewed BXGT009802 Tyrosine-protein phosphatase non-receptor type 7 reviewed Enzyme PTPN7 - 20000 - -
reviewed BXGT012771 Eukaryotic translation initiation factor 4 gamma 1 reviewed Nucleic acid binding EIF4G1 - 32130 - -
reviewed BXGT016113 Dual specificity protein phosphatase 6 reviewed Dusp6 - 832 - -
reviewed BXGT012942 Induced myeloid leukemia cell differentiation protein Mcl-1 reviewed Signaling MCL1 - 441.49 - -
reviewed BXGT012941 Bcl-2-like protein 1 reviewed Signaling BCL2L1 - 108803 - -
reviewed BXGT009349 Caspase-1 reviewed Enzyme CASP1 - >1.0e+4 - -
CHEMBL CHEMBL458328
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
Q2Q167 BXGT014159 Core protein unreviewed - IC50 '=' 46301 nM
P25779 BXGT009067 Cruzipain reviewed - Potency '=' 28183 nM
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 25118 nM
P06746 BXGT006496 DNA polymerase beta reviewed Enzyme POLB Potency '=' 1122 nM
P25779 BXGT009067 Cruzipain reviewed - Potency '=' 25118 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 14125 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 14125 nM
Q07820 BXGT012942 Induced myeloid leukemia cell differentiation protein Mcl-1 reviewed Signaling MCL1 IC50 '=' 441 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 19952 nM
P35236 BXGT009802 Tyrosine-protein phosphatase non-receptor type 7 reviewed Enzyme PTPN7 IC50 '=' 15400 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 8912 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 8912 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 79432 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 631 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 10000 nM
Q92830 BXGT019379 Histone acetyltransferase KAT2A reviewed - KAT2A Potency - 2238 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 10000 nM
P46063 BXGT010501 ATP-dependent DNA helicase Q1 reviewed Enzyme RECQL Potency '=' 28183 nM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 28183 nM
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency - 30131 nM
P04406 BXGT006207 Glyceraldehyde-3-phosphate dehydrogenase reviewed Enzyme GAPDH IC50 '>' 100000 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 28183 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 12589 nM
P46063 BXGT010501 ATP-dependent DNA helicase Q1 reviewed Enzyme RECQL Potency '=' 1122 nM
Q64346 BXGT016113 Dual specificity protein phosphatase 6 reviewed - Dusp6 IC50 '=' 832 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 29092 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 15848 nM
P54132 BXGT011032 Bloom syndrome protein reviewed - BLM Potency '=' 12589 nM
P18054 BXGT008370 Arachidonate 12-lipoxygenase, 12S-type reviewed Enzyme ALOX12 Potency '=' 3162 nM
P53987 BXGT011023 Monocarboxylate transporter 1 reviewed - Slc16a1 Activity '=' 117 %
Q66HS9 BXGT016172 Monocarboxylate transporter 2 unreviewed - Slc16a7 Activity '=' 125 %
P63073 BXGT011490 Eukaryotic translation initiation factor 4E reviewed - Eif4e IC50 - 32130 nM
Q07817 BXGT012941 Bcl-2-like protein 1 reviewed Signaling BCL2L1 IC50 '>' 108803 nM
O15648 BXGT004185 ATP-dependent 6-phosphofructokinase reviewed - pfk Potency - 10691 nM
Q962Y6 BXGT019597 Thioredoxin glutathione reductase unreviewed - TGR Potency '=' 19952 nM
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 3981 nM
Q64346 BXGT016113 Dual specificity protein phosphatase 6 reviewed - Dusp6 IC50 '=' 25100 nM
O75604 BXGT005139 Ubiquitin carboxyl-terminal hydrolase 2 reviewed Enzyme USP2 Potency '=' 28183 nM
Q64346 BXGT016113 Dual specificity protein phosphatase 6 reviewed - Dusp6 IC50 '=' 30400 nM
Q6QLK5 BXGT016498 Envelope glycoprotein gp160 unreviewed - env IC50 '=' 11900 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 35481 nM
P04608 BXGT006236 Protein Tat reviewed - tat IC50 - 2379 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 1995 nM
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 56234 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 28183 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 10000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00056 Mandarin orange (Clementine, Tangerine) Citrus reticulata Fruits
BXGF00871 Citrus unshiu Citrus unshiu 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