Showing entry for Quinalizarin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0018843
Compound NameQuinalizarin
Structure
FormulaC14H8O6
InchiKeyVBHKTXLEJZIDJF-UHFFFAOYSA-N
SMILESOc1c(O)ccc2c1C(=O)c1c(C2=O)c(O)ccc1O
InchiInChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H
IUPAC1,2,5,8-tetrahydroxyanthracene-9,10-dione
Molecular Weight272.03
Pubchem Id5004
Chembl IdCHEMBL29898
Targets of Information Source
DrugBank DB08660
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
P68400 BXGT011599 Casein kinase II subunit alpha reviewed Kinase CSNK2A1 experimental -
PDB TXQ
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
P28523 BXGT009269 Casein kinase II subunit alpha reviewed ACK2 - - - - -
P68400 BXGT011599 Casein kinase II subunit alpha reviewed CSNK2A1 Kinase - - - -
Binding DB 50041419
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 BXGT006320 Plasminogen activator inhibitor 1 reviewed Enzyme modulator SERPINE1 - 4400 - -
CHEMBL CHEMBL29898
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
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 6309 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 6309 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 31697 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 31697 nM
P97697 BXGT012214 Inositol monophosphatase 1 reviewed - Impa1 Potency '=' 12589 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 1000 nM
P22309 BXGT008753 UDP-glucuronosyltransferase 1-1 reviewed - UGT1A1 Activity '=' 170 pm/min/mg
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 31622 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 31622 nM
Q7ZJM1 BXGT017268 Integrase unreviewed - pol IC50 '<' 17000 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 12589 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 10000 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 70794 nM
P54855 BXGT011088 UDP-glucuronosyltransferase 2B15 reviewed - UGT2B15 Activity '=' 13 pm/min/mg
Q02750 BXGT012662 Dual specificity mitogen-activated protein kinase kinase 1 reviewed Kinase MAP2K1 Potency '=' 3548 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 75 %
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 3548 nM
P10828 BXGT007624 Thyroid hormone receptor beta reviewed Nuclear receptor THRB Potency '=' 25118 nM
O15296 BXGT004148 Arachidonate 15-lipoxygenase B reviewed Enzyme ALOX15B Potency - 631 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 1000 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency '=' 3981 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 22387 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 22387 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 10322 nM
P22310 BXGT008754 UDP-glucuronosyltransferase 1-4 reviewed - UGT1A4 Activity '=' 0 pm/min/mg
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 7943 nM
P46063 BXGT010501 ATP-dependent DNA helicase Q1 reviewed Enzyme RECQL Potency '=' 31622 nM
Q7ZJM1 BXGT017268 Integrase unreviewed - pol IC50 '=' 4000 nM
Q7ZJM1 BXGT017268 Integrase unreviewed - pol Kd '<' 15000 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 5011 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 158 nM
P16050 BXGT008184 Arachidonate 15-lipoxygenase reviewed Enzyme ALOX15 Potency '=' 251 nM
Q7ZJM1 BXGT017268 Integrase unreviewed - pol IC50 '=' 1000 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 2511 nM
P10828 BXGT007624 Thyroid hormone receptor beta reviewed Nuclear receptor THRB Potency '=' 44668 nM
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency '=' 5011 nM
Q9HAW9 BXGT020510 UDP-glucuronosyltransferase 1-8 reviewed - UGT1A8 Activity '=' 947 pm/min/mg
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 2818 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 23109 nM
Q9HAW8 BXGT020509 UDP-glucuronosyltransferase 1-10 reviewed - UGT1A10 Activity '=' 96 pm/min/mg
P35503 BXGT009840 UDP-glucuronosyltransferase 1-3 reviewed - UGT1A3 Activity '=' 749 pm/min/mg
P19784 BXGT008513 Casein kinase II subunit alpha' reviewed Kinase CSNK2A2 Ki '=' 60 nM
P68400 BXGT011599 Casein kinase II subunit alpha reviewed Kinase CSNK2A1 Ki '=' 60 nM
P67870 BXGT011566 Casein kinase II subunit beta reviewed Kinase CSNK2B Ki '=' 60 nM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 11220 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 3162 nM
P38398 BXGT010037 Breast cancer type 1 susceptibility protein reviewed Enzyme BRCA1 Potency '=' 31622 nM
O75604 BXGT005139 Ubiquitin carboxyl-terminal hydrolase 2 reviewed Enzyme USP2 Potency '=' 3981 nM
P04049 BXGT006133 RAF proto-oncogene serine/threonine-protein kinase reviewed Kinase RAF1 Potency '=' 12589 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 35481 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 1412 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 79432 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 57 %
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 3162 nM
P19139 BXGT008462 Casein kinase II subunit alpha reviewed - Csnk2a1 IC50 '=' 110 nM
P67874 BXGT011567 Casein kinase II subunit beta reviewed - Csnk2b IC50 '=' 110 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF03158 Rheum officinale Rheum officinale Medicinal Plant
BXGF03988 Rheum coreanum Rheum coreanum Others
BXGF04539 Rheum palmatum Rheum palmatum Medicinal Plant
BXGF05877 Rheum tanguticum Rheum tanguticum 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