Showing entry for raubasine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0042035
Compound Nameraubasine
Structure
FormulaC21H24N2O3
InchiKeyGRTOGORTSDXSFK-UHFFFAOYSA-N
SMILESCOC(=O)C1=COC(C2C1CC1N(C2)CCc2c1[nH]c1c2cccc1)C
InchiInChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3
IUPAC
Molecular Weight352.18
Pubchem Id251561
Chembl IdCHEMBL1604074
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 30993
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 BXGT006837 5-hydroxytryptamine receptor 1A reviewed G-protein coupled receptor HTR1A - - - 99000
reviewed BXGT006841 Alpha-2A adrenergic receptor reviewed G-protein coupled receptor ADRA2A 6.4 - - -
reviewed BXGT006841 Alpha-2A adrenergic receptor reviewed G-protein coupled receptor ADRA2A 8.9 - - -
reviewed BXGT008379 Alpha-2B adrenergic receptor reviewed G-protein coupled receptor ADRA2B 14.5 - - -
reviewed BXGT008473 Alpha-2B adrenergic receptor reviewed Adra2b 31.2 - - -
reviewed BXGT008426 Alpha-2C adrenergic receptor reviewed G-protein coupled receptor ADRA2C 5 - - -
reviewed BXGT006841 Alpha-2A adrenergic receptor reviewed G-protein coupled receptor ADRA2A 0.66 - - -
reviewed BXGT008473 Alpha-2B adrenergic receptor reviewed Adra2b 46 - - -
reviewed BXGT008473 Alpha-2B adrenergic receptor reviewed Adra2b 1.5 - - -
reviewed BXGT008434 Alpha-2A adrenergic receptor reviewed ADRA2A 10 - - -
reviewed BXGT008818 Alpha-2A adrenergic receptor reviewed Adra2a 289 - - -
reviewed BXGT013955 Alpha-2A adrenergic receptor reviewed ADRA2A 653 - - -
reviewed BXGT005197 Alpha-2B adrenergic receptor (Fragment) reviewed ADRA2B 376 - - -
reviewed BXGT005197 Alpha-2B adrenergic receptor (Fragment) reviewed ADRA2B 429 - - -
reviewed BXGT006841 Alpha-2A adrenergic receptor reviewed G-protein coupled receptor ADRA2A 47.6 - - -
reviewed BXGT008818 Alpha-2A adrenergic receptor reviewed Adra2a 1472 - - -
CHEMBL CHEMBL1604074
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
P42858 BXGT010341 Huntingtin reviewed - HTT Potency '=' 11220 nM
Q8WZA2 BXGT019025 Rap guanine nucleotide exchange factor 4 reviewed Enzyme modulator RAPGEF4 Potency - 35481 nM
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 31622 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 31622 nM
P62826 BXGT011463 GTP-binding nuclear protein Ran reviewed Enzyme modulator RAN Potency - 31622 nM
P55210 BXGT011110 Caspase-7 reviewed Enzyme CASP7 Potency '=' 25118 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 14125 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 14125 nM
P29466 BXGT009349 Caspase-1 reviewed Enzyme CASP1 Potency '=' 25118 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 89125 nM
Q99816 BXGT019966 Tumor susceptibility gene 101 protein reviewed Enzyme TSG101 Potency - 70794 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 79432 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 3548 nM
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 89125 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 35481 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 31622 nM
Q14145 BXGT013448 Kelch-like ECH-associated protein 1 reviewed - KEAP1 AC50 '>' 52000 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 AC50 '>' 52000 nM
Q8IUX4 BXGT018337 DNA dC->dU-editing enzyme APOBEC-3F reviewed Enzyme APOBEC3F Potency - 14125 nM
Q962Y6 BXGT019597 Thioredoxin glutathione reductase unreviewed - TGR Potency '=' 79432 nM
P17405 BXGT008304 Sphingomyelin phosphodiesterase reviewed Enzyme SMPD1 Potency - 31622 nM
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 100000 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 100000 nM
Q14145 BXGT013448 Kelch-like ECH-associated protein 1 reviewed - KEAP1 Max_Activity_Concent - 26 uM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 44668 nM
Q9NR56 BXGT021179 Muscleblind-like protein 1 reviewed Nucleic acid binding MBNL1 Potency - 12589 nM
P04608 BXGT006236 Protein Tat reviewed - tat IC50 - 7635 nM
Q26513 BXGT013917 Glutathione-S-transferase unreviewed - gst-3 IC50 '>' 100000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF04135 Atropa belladonna Atropa belladonna 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