Showing entry for Arundine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0038641
Compound NameArundine
Structure
FormulaC17H14N2
InchiKeyVFTRKSBEFQDZKX-UHFFFAOYSA-N
SMILESc1ccc2c(c1)c(c[nH]2)Cc1c[nH]c2c1cccc2
InchiInChI=1S/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2
IUPAC3-(1H-indol-3-ylmethyl)-1H-indole
Molecular Weight246.12
Pubchem Id3071
Chembl IdCHEMBL446452
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 CHEMBL446452
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
E9B7X3 BXGT026087 DNA topoisomerase type IB small subunit unreviewed - LDBPK_040070 Activity - - -
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 19952 nM
E9BRC0 BXGT026088 DNA topoisomerase I unreviewed - LDBPK_343220 Kd '=' 530000 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 25118 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 25118 nM
E9B7X3 BXGT026087 DNA topoisomerase type IB small subunit unreviewed - LDBPK_040070 Inhibition - - -
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 11220 nM
P49798 BXGT010745 Regulator of G-protein signaling 4 reviewed Enzyme modulator RGS4 Potency - 133 nM
E9BRC0 BXGT026088 DNA topoisomerase I unreviewed - LDBPK_343220 Activity - - -
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 44668 nM
E9BRC0 BXGT026088 DNA topoisomerase I unreviewed - LDBPK_343220 Inhibition - - -
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 35481 nM
E9B7X3 BXGT026087 DNA topoisomerase type IB small subunit unreviewed - LDBPK_040070 Kd '=' 380000 nM
Q9NQS5 BXGT021167 G-protein coupled receptor 84 reviewed G-protein coupled receptor GPR84 EC50 '=' 5120 nM
Q5NUL3 BXGT015621 Free fatty acid receptor 4 reviewed - FFAR4 Inhibition - - -
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 17782 nM
Q9NQS5 BXGT021167 G-protein coupled receptor 84 reviewed G-protein coupled receptor GPR84 EC50 '=' 1640 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 22387 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 25118 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 8912 nM
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' 21 %
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 39810 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 101 %
Q9NQS5 BXGT021167 G-protein coupled receptor 84 reviewed G-protein coupled receptor GPR84 EC50 '=' 252 nM
Q9NQS5 BXGT021167 G-protein coupled receptor 84 reviewed G-protein coupled receptor GPR84 Emax '=' 125 %
Q9HC97 BXGT020527 G-protein coupled receptor 35 reviewed G-protein coupled receptor GPR35 Activity - - -
Q5NUL3 BXGT015621 Free fatty acid receptor 4 reviewed - FFAR4 Activity - - -
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 110 %
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 15848 nM
E9BRC0 BXGT026088 DNA topoisomerase I unreviewed - LDBPK_343220 Kd '=' 760000 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 56234 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 50118 nM
Q9NQS5 BXGT021167 G-protein coupled receptor 84 reviewed G-protein coupled receptor GPR84 EC50 '=' 6280 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 4 %
Q9NQS5 BXGT021167 G-protein coupled receptor 84 reviewed G-protein coupled receptor GPR84 EC50 '=' 8370 nM
Q9NQS5 BXGT021167 G-protein coupled receptor 84 reviewed G-protein coupled receptor GPR84 Ratio EC50 '=' 7 -
Q9NQS5 BXGT021167 G-protein coupled receptor 84 reviewed G-protein coupled receptor GPR84 Emax '=' 60 %
Q9NQS5 BXGT021167 G-protein coupled receptor 84 reviewed G-protein coupled receptor GPR84 FC '=' 29 -
Q9NQS5 BXGT021167 G-protein coupled receptor 84 reviewed G-protein coupled receptor GPR84 EC50 '=' 2880 nM
Q9NQS5 BXGT021167 G-protein coupled receptor 84 reviewed G-protein coupled receptor GPR84 Kb '=' 880 nM
O14842 BXGT004106 Free fatty acid receptor 1 reviewed G-protein coupled receptor FFAR1 Activity - - -
P35869 BXGT009877 Aryl hydrocarbon receptor reviewed Transcription factor AHR Activity - - -
Q9NQS5 BXGT021167 G-protein coupled receptor 84 reviewed G-protein coupled receptor GPR84 Inhibition - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF02702 Arundo donax Arundo donax 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