Showing entry for Rutaecarpine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0028278
Compound NameRutaecarpine
Structure
FormulaC18H13N3O
InchiKeyACVGWSKVRYFWRP-UHFFFAOYSA-N
SMILESO=c1c2ccccc2nc2n1CCc1c2[nH]c2c1cccc2
InchiInChI=1S/C18H13N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,19H,9-10H2
IUPAC
Molecular Weight287.11
Pubchem Id65752
Chembl IdCHEMBL85139
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 50131046
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 BXGT003525 Nuclear hormone receptor family member daf-12 reviewed daf-12 - 67574 - -
reviewed BXGT011101 Oxysterols receptor LXR-beta reviewed Nuclear receptor NR1H2 - 67574 - -
reviewed BXGT006837 5-hydroxytryptamine receptor 1A reviewed G-protein coupled receptor HTR1A >100000 - - -
reviewed BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed Trpv1 - - - 2060
reviewed BXGT004559 Acetylcholinesterase reviewed ache - >100000 - -
reviewed BXGT011959 Cholinesterase reviewed BCHE - >100000 - -
reviewed BXGT006265 Cytochrome P450 1A1 reviewed Enzyme CYP1A1 - 260 - -
reviewed BXGT013656 Cytochrome P450 1B1 reviewed Enzyme CYP1B1 - 55 - -
reviewed BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 - 8700 - -
reviewed BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 - 300 - -
reviewed BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 - 280 - -
reviewed BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 107700 - - -
CHEMBL CHEMBL85139
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
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 631 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Kinact '=' 0 min-1
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 79432 nM
P25779 BXGT009067 Cruzipain reviewed - Potency '=' 39810 nM
P14618 BXGT008027 Pyruvate kinase PKM reviewed Kinase PKM Potency '=' 3162 nM
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 IC50 '=' 8700 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 28183 nM
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' 0 mV
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity - - -
P54132 BXGT011032 Bloom syndrome protein reviewed - BLM Potency '=' 19952 nM
P08482 BXGT006775 Muscarinic acetylcholine receptor M1 reviewed - Chrm1 Potency '=' 17782 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 920 nM
P40225 BXGT010168 Thrombopoietin reviewed - THPO Potency '=' 316 nM
Q16665 BXGT013653 Hypoxia-inducible factor 1-alpha reviewed Transcription factor HIF1A Potency '=' 15848 nM
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 IC50 '=' 300 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 35481 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 3981 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Ki '=' 107700 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 1457 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 AC50 '=' 3981 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 1412 nM
P51151 BXGT010837 Ras-related protein Rab-9A reviewed - RAB9A Potency '=' 1778 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 891 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 AC50 '=' 316 nM
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 39810 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 461 nM
P42345 BXGT010304 Serine/threonine-protein kinase mTOR reviewed Kinase MTOR Potency '=' 18492 nM
P51151 BXGT010837 Ras-related protein Rab-9A reviewed - RAB9A Potency '=' 2909 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 28183 nM
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 IC50 '=' 280 nM
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 AC50 - - -
P55055 BXGT011101 Oxysterols receptor LXR-beta reviewed Nuclear receptor NR1H2 IC50 '>' 67574 nM
P14780 BXGT008053 Matrix metalloproteinase-9 reviewed Enzyme MMP9 IC50 '=' 7 ug.mL-1
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 25118 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 28183 nM
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency '=' 12589 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 7943 nM
Q01453 BXGT012588 Peripheral myelin protein 22 reviewed Cellular structure PMP22 Potency '=' 75686 nM
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -157 pA/pF
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency - 2511 nM
P15289 BXGT008102 Arylsulfatase A reviewed Enzyme ARSA Potency - 21 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 2592 nM
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 17782 nM
Q4Q090 BXGT014858 2,3-bisphosphoglycerate-independent phosphoglycerate mutase unreviewed - PGAM Potency - 23934 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 2818 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 22 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 IC50 '=' 22 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 35481 nM
P00811 BXGT005666 Beta-lactamase reviewed - ampC Potency '=' 6309 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' -4 %
P04798 BXGT006265 Cytochrome P450 1A1 reviewed Enzyme CYP1A1 IC50 '=' 260 nM
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 3548 nM
O75762 BXGT005151 Transient receptor potential cation channel subfamily A member 1 reviewed Ion channel TRPA1 Activity - - -
P08908 BXGT006837 5-hydroxytryptamine receptor 1A reviewed G-protein coupled receptor HTR1A Ki '>' 100000 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 707 nM
O15118 BXGT004127 NPC intracellular cholesterol transporter 1 reviewed Transporter NPC1 Potency '=' 5623 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache IC50 '>' 100000 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 29934 nM
Q16678 BXGT013656 Cytochrome P450 1B1 reviewed Enzyme CYP1B1 IC50 '=' 55 nM
P81908 BXGT011959 Cholinesterase reviewed - BCHE IC50 '>' 100000 nM
P06746 BXGT006496 DNA polymerase beta reviewed Enzyme POLB Potency '=' 44668 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 8196 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 AC50 - - -
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 39810 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 12589 nM
P11021 BXGT007644 Endoplasmic reticulum chaperone BiP reviewed - HSPA5 Potency - 261 nM
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency - 952 nM
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -200 pA/pF
P16473 BXGT008234 Thyrotropin receptor reviewed G-protein coupled receptor TSHR Potency '=' 12589 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 3262 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 AC50 - - -
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Inhibition - - -
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 EC50 '=' 2060 nM
O15118 BXGT004127 NPC intracellular cholesterol transporter 1 reviewed Transporter NPC1 Potency '=' 2909 nM
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -55 pA/pF
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' -27 %
P02768 BXGT005955 Serum albumin reviewed Transporter ALB Ka '=' 1 uM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00875 Glycosmis pseudoracemosa Glycosmis pseudoracemosa Medicinal Plant
BXGF01063 Corydalis persica Corydalis persica Others
BXGF01136 Inula grantioides Inula grantioides Medicinal Plant
BXGF01395 Juniperus horizontalis Juniperus horizontalis Medicinal Plant
BXGF01577 Strychnos spinosa Strychnos spinosa Medicinal Plant
BXGF01714 Amomum daniellii Amomum daniellii Others
BXGF01782 Hesperocyparis goveniana var. abramsiana Hesperocyparis goveniana var. abramsiana Others
BXGF01852 Plectranthus caninus Plectranthus caninus Medicinal Plant
BXGF01935 Lathyrus tingitanus Lathyrus tingitanus Human Edible Plant
BXGF01970 Rauvolfia salicifolia Rauvolfia salicifolia Others
BXGF01990 Balanophora japonica Balanophora japonica Medicinal Plant
BXGF02350 Cota tinctoria Cota tinctoria Medicinal Plant
BXGF02357 Euodia bodinieri Euodia bodinieri Others
BXGF02978 Tetradium ruticarpum Tetradium ruticarpum Medicinal Plant
BXGF03427 Phellodendron chinense Phellodendron chinense Medicinal Plant
BXGF03506 Millettia pachycarpa Millettia pachycarpa Medicinal Plant
BXGF03625 Alchornea cordifolia Alchornea cordifolia Medicinal Plant
BXGF03706 Tetradium glabrifolium Tetradium glabrifolium Others
BXGF03757 Tylophora asthmatica Tylophora asthmatica Medicinal Plant
BXGF03828 Phellodendron amurense Phellodendron amurense Medicinal Plant
BXGF04256 Phellodendron chinese Phellodendron chinese Others
BXGF05188 Corynanthe pachyceras Corynanthe pachyceras Others
BXGF05356 Euodia officinalis Euodia officinalis Others
BXGF05455 Peucedanum oroselinum Peucedanum oroselinum Others
BXGF05471 Cynoglossum amabile Cynoglossum amabile Medicinal Plant
BXGF05746 Atalantia wightii Atalantia wightii Others
BXGF06002 Euodia ruticarpa Euodia ruticarpa Others
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