Showing entry for 6-Oxocamphor


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0000952
Compound Name6-Oxocamphor
Structure
FormulaC23H24ClN3O5
InchiKeyDGHHQBMTXTWTJV-BQAIUKQQSA-N
SMILESCl.CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC(O)=C(CN(C)C)C1=C3)C2=O
InchiInChI=1S/C23H23N3O5.ClH/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20;/h5-8,27,30H,4,9-11H2,1-3H3;1H/t23-;/m0./s1
IUPAC(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.0?,?.01?,2?]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione hydrochloride
Molecular Weight457.91
Pubchem Id60699
Chembl IdCHEMBL1607
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 CHEMBL1607
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
Q16665 BXGT013653 Hypoxia-inducible factor 1-alpha reviewed Transcription factor HIF1A Potency '=' 251 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 794 nM
O75604 BXGT005139 Ubiquitin carboxyl-terminal hydrolase 2 reviewed Enzyme USP2 Potency '=' 10000 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 7079 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 251 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 1158 nM
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 35481 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 7079 nM
P55210 BXGT011110 Caspase-7 reviewed Enzyme CASP7 Potency '=' 10000 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 AC50 - - -
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 3162 nM
P38398 BXGT010037 Breast cancer type 1 susceptibility protein reviewed Enzyme BRCA1 Potency '=' 6309 nM
O95398 BXGT005378 Rap guanine nucleotide exchange factor 3 reviewed Enzyme modulator RAPGEF3 Potency - 14125 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 281 nM
P97697 BXGT012214 Inositol monophosphatase 1 reviewed - Impa1 Potency '=' 28183 nM
Q14145 BXGT013448 Kelch-like ECH-associated protein 1 reviewed - KEAP1 Max_Activity_Concent - 0 uM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 28183 nM
O40947 BXGT004554 ORF 73 unreviewed - AC50 '=' 2151 nM
P55210 BXGT011110 Caspase-7 reviewed Enzyme CASP7 Potency '=' 3162 nM
Q99816 BXGT019966 Tumor susceptibility gene 101 protein reviewed Enzyme TSG101 Potency - 6506 nM
P14735 BXGT008042 Insulin-degrading enzyme reviewed Enzyme IDE EC50 '>' 54690 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 AC50 - - -
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 79432 nM
P17405 BXGT008304 Sphingomyelin phosphodiesterase reviewed Enzyme SMPD1 Potency - 15848 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 39810 nM
Q99816 BXGT019966 Tumor susceptibility gene 101 protein reviewed Enzyme TSG101 Potency - 56234 nM
Q8IUX4 BXGT018337 DNA dC->dU-editing enzyme APOBEC-3F reviewed Enzyme APOBEC3F Potency - 35481 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 25118 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 11220 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 44668 nM
P25094 BXGT009014 Peripheral myelin protein 22 reviewed - Pmp22 Potency - 510 nM
Q92830 BXGT019379 Histone acetyltransferase KAT2A reviewed - KAT2A Potency - 28183 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 145 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 12589 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 12589 nM
P25094 BXGT009014 Peripheral myelin protein 22 reviewed - Pmp22 Potency - 15836 nM
P68871 BXGT011615 Hemoglobin subunit beta reviewed - HBB Potency '=' 12589 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 AC50 - - -
P11387 BXGT007696 DNA topoisomerase 1 reviewed Enzyme TOP1 IC50 '=' 1080 nM
P9WIQ1 BXGT012329 UDP-galactopyranose mutase reviewed - glf AC50 '=' 6860 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 AC50 - - -
P29466 BXGT009349 Caspase-1 reviewed Enzyme CASP1 Potency '=' 3162 nM
P15917 BXGT008169 Lethal factor reviewed - lef Potency '=' 3162 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 211 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 79432 nM
P29466 BXGT009349 Caspase-1 reviewed Enzyme CASP1 Potency '=' 10000 nM
Q06710 BXGT012887 Paired box protein Pax-8 reviewed - PAX8 AC50 '<' 260 nM
Q8WZA2 BXGT019025 Rap guanine nucleotide exchange factor 4 reviewed Enzyme modulator RAPGEF4 Potency - 3162 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 259 nM
Q14145 BXGT013448 Kelch-like ECH-associated protein 1 reviewed - KEAP1 AC50 '=' 3700 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 AC50 '=' 3700 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 29 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 20596 nM
Q8WZA2 BXGT019025 Rap guanine nucleotide exchange factor 4 reviewed Enzyme modulator RAPGEF4 Potency - 63095 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 183 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 2310 nM
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 AC50 - - -
Q99816 BXGT019966 Tumor susceptibility gene 101 protein reviewed Enzyme TSG101 Potency - 11570 nM
P53350 BXGT010984 Serine/threonine-protein kinase PLK1 reviewed Kinase PLK1 Potency - 5972 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00165 Common sage Salvia officinalis Herbs and Spices
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