Showing entry for Deoxyvasicinone


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0027249
Compound NameDeoxyvasicinone
Structure
FormulaC11H10N2O
InchiKeyVARHXCYGZKSOOO-UHFFFAOYSA-N
SMILESO=c1c2ccccc2nc2n1CCC2
InchiInChI=1S/C11H10N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5H,3,6-7H2
IUPAC2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
Molecular Weight186.08
Pubchem Id68261
Chembl IdCHEMBL456881
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 50244216
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 BXGT012771 Eukaryotic translation initiation factor 4 gamma 1 reviewed Nucleic acid binding EIF4G1 - 6200.028677 - -
reviewed BXGT012297 Protein RecA reviewed recA - - - 118600
reviewed BXGT012297 Protein RecA reviewed recA - - - 11600
reviewed BXGT006430 Cholinesterase reviewed BCHE - 25100 - -
reviewed BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE - 82500 - -
CHEMBL CHEMBL456881
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
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 AC50 - - -
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 AC50 - - -
P25779 BXGT009067 Cruzipain reviewed - Potency '=' 17782 nM
Q9HD26 BXGT020540 Golgi-associated PDZ and coiled-coil motif-containing protein reviewed - GOPC AC50 '=' 21308 nM
P13569 BXGT007923 Cystic fibrosis transmembrane conductance regulator reviewed Ion channel CFTR AC50 '=' 21308 nM
Q194T2 BXGT013743 Non-structural protein 1 unreviewed - NS1 Potency '=' 7943 nM
P16050 BXGT008184 Arachidonate 15-lipoxygenase reviewed Enzyme ALOX15 Potency '=' 3162 nM
Q9Y468 BXGT022270 Lethal(3)malignant brain tumor-like protein 1 reviewed Epigenetic regulator L3MBTL1 Potency '=' 28183 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 50118 nM
Q9Y468 BXGT022270 Lethal(3)malignant brain tumor-like protein 1 reviewed Epigenetic regulator L3MBTL1 Potency - 23778 nM
P9WMR3 BXGT012397 Replicative DNA helicase reviewed - dnaB AC50 '=' 22950 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 8912 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 79432 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 89 nM
Q2TB90 BXGT014214 Putative hexokinase HKDC1 reviewed Kinase HKDC1 IC50 '>' 80000 nM
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency - 23934 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 25118 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 AC50 - - -
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 31622 nM
P63073 BXGT011490 Eukaryotic translation initiation factor 4E reviewed - Eif4e IC50 - 6200 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 14125 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 39810 nM
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE IC50 '=' 82500 nM
Q9NR56 BXGT021179 Muscleblind-like protein 1 reviewed Nucleic acid binding MBNL1 Potency - 39810 nM
Q2TB90 BXGT014214 Putative hexokinase HKDC1 reviewed Kinase HKDC1 IC50 '=' 4320 nM
O15648 BXGT004185 ATP-dependent 6-phosphofructokinase reviewed - pfk Potency - 16944 nM
P9WMR3 BXGT012397 Replicative DNA helicase reviewed - dnaB AC50 '=' 13290 nM
O75604 BXGT005139 Ubiquitin carboxyl-terminal hydrolase 2 reviewed Enzyme USP2 Potency '=' 3981 nM
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 14125 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 31622 nM
O15648 BXGT004185 ATP-dependent 6-phosphofructokinase reviewed - pfk Potency - 26854 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 AC50 - - -
P06276 BXGT006430 Cholinesterase reviewed - BCHE IC50 '=' 25100 nM
Q57TT1 BXGT015153 Uncharacterized protein unreviewed - Tb927.8.6820 Potency - 50118 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 16481 nM
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 89125 nM
P25779 BXGT009067 Cruzipain reviewed - Potency '=' 12589 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 39810 nM
O94925 BXGT005342 Glutaminase kidney isoform, mitochondrial reviewed Enzyme GLS Potency - 35481 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 AC50 '=' 6309 nM
P9WHJ3 BXGT012297 Protein RecA reviewed - recA EC50 '=' 11600 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 63095 nM
Q14191 BXGT013452 Werner syndrome ATP-dependent helicase reviewed Enzyme WRN Potency - 22387 nM
P06276 BXGT006430 Cholinesterase reviewed - BCHE IC50 '=' 45100 nM
P07378 BXGT006616 Phosphoglycerate kinase, glycosomal reviewed - Potency - 39810 nM
O95398 BXGT005378 Rap guanine nucleotide exchange factor 3 reviewed Enzyme modulator RAPGEF3 Potency - 25118 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 70794 nM
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Inhibition '=' 2 %
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE IC50 '=' 62500 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01008 Peganum harmala Peganum harmala Medicinal Plant
BXGF01811 Dioscorea gracillima Dioscorea gracillima Medicinal Plant
BXGF01835 Dioscorea nipponica Dioscorea nipponica Medicinal Plant
BXGF01949 Dioscorea collettii var. hypoglauca Dioscorea collettii var. hypoglauca Others
BXGF02519 Dioscorea septemloba Dioscorea septemloba Others
BXGF03628 Dioscorea althaeoides Dioscorea althaeoides Medicinal Plant
BXGF04978 Isatis indigotica Isatis indigotica Medicinal Plant
BXGF05297 Isatis tinctoria Isatis tinctoria Medicinal Plant
BXGF05352 Dioscorea futschauensis Dioscorea futschauensis Medicinal Plant
BXGF06143 Persicaria tinctoria Persicaria tinctoria Medicinal Plant
BXGF06147 Dioscorea panthaica Dioscorea panthaica 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