Showing entry for Lapachol


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0036643
Compound NameLapachol
Structure
FormulaC15H14O3
InchiKeyCIEYTVIYYGTCCI-UHFFFAOYSA-N
SMILESCC(=CCC1=C(O)C(=O)c2c(C1=O)cccc2)C
InchiInChI=1S/C15H14O3/c1-9(2)7-8-12-13(16)10-5-3-4-6-11(10)14(17)15(12)18/h3-7,18H,8H2,1-2H3
IUPAC
Molecular Weight242.09
Pubchem Id
Chembl IdCHEMBL15193
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 CHEMBL15193
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
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 31622 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 28183 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 115 %
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 35481 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 35481 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 19952 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 25118 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 25118 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 35481 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 3162 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 17782 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 19952 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 19952 nM
P97697 BXGT012214 Inositol monophosphatase 1 reviewed - Impa1 Potency '=' 12589 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 3162 nM
Q9HC97 BXGT020527 G-protein coupled receptor 35 reviewed G-protein coupled receptor GPR35 IC50 '=' 4660 nM
Q9HC97 BXGT020527 G-protein coupled receptor 35 reviewed G-protein coupled receptor GPR35 EC50 '=' 2840 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 25118 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 25929 nM
Q04760 BXGT012782 Lactoylglutathione lyase reviewed - GLO1 Ki '=' 2 nM
Q9HC97 BXGT020527 G-protein coupled receptor 35 reviewed G-protein coupled receptor GPR35 EC50 '=' 47900 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 28183 nM
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency '=' 2511 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 29092 nM
Q9HC97 BXGT020527 G-protein coupled receptor 35 reviewed G-protein coupled receptor GPR35 Efficacy '=' 328 picometer
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 25118 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 1119 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 4466 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 3981 nM
Q9HC97 BXGT020527 G-protein coupled receptor 35 reviewed G-protein coupled receptor GPR35 Activity - - -
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 1774 nM
Q9HC97 BXGT020527 G-protein coupled receptor 35 reviewed G-protein coupled receptor GPR35 Ratio '=' 8 -
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 25118 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 108 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00888 Echinocereus blanckii Echinocereus blanckii Others
BXGF01004 Rabdosia weisiensis Rabdosia weisiensis Others
BXGF01139 Alluaudia ascendens Alluaudia ascendens Others
BXGF03547 Physostigma venenosum Physostigma venenosum Medicinal Plant
BXGF05089 Aglaia rubiginosa Aglaia rubiginosa Others
BXGF05240 Centaurea collina Centaurea collina Others
BXGF05282 Achillea serbica Achillea serbica Others
BXGF05354 Tabebuia avellanedae Tabebuia avellanedae Medicinal Plant
BXGF05461 Euonymus nanus Euonymus nanus Others
BXGF05536 Millingtonia hortensis Millingtonia hortensis Medicinal Plant
BXGF05703 Sinapis nigra Sinapis nigra 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