Showing entry for Pentazocine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0049061
Compound NamePentazocine
Structure
FormulaC19H27NO
InchiKeyVOKSWYLNZZRQPF-GDIGMMSISA-N
SMILESCC(=CCN1CC[C@@]2([C@H]([C@H]1Cc1c2cc(cc1)O)C)C)C
InchiInChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1
IUPAC
Molecular Weight285.21
Pubchem Id441278
Chembl IdCHEMBL560
Targets of Information Source
DrugBank DB00652
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
P35372 BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 approved; vet_approved antagonist
P41145 BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 approved; vet_approved agonist
Q99720 BXGT019955 Sigma non-opioid intracellular receptor 1 reviewed - SIGMAR1 approved; vet_approved agonist
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 50001028
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 BXGT019575 D(1A) dopamine receptor reviewed DRD1 >10000 - - -
reviewed BXGT008560 D(2) dopamine receptor reviewed DRD2 3500 - - -
reviewed BXGT015986 Sigma non-opioid intracellular receptor 1 reviewed SIGMAR1 8 - - -
reviewed BXGT015986 Sigma non-opioid intracellular receptor 1 reviewed SIGMAR1 43 - - -
reviewed BXGT015986 Sigma non-opioid intracellular receptor 1 reviewed SIGMAR1 81 - - -
reviewed BXGT015986 Sigma non-opioid intracellular receptor 1 reviewed SIGMAR1 135 - - -
reviewed BXGT015986 Sigma non-opioid intracellular receptor 1 reviewed SIGMAR1 69 - - -
reviewed BXGT009831 Glutamate receptor ionotropic, NMDA 1 reviewed Grin1 25 - - -
reviewed BXGT009831 Glutamate receptor ionotropic, NMDA 1 reviewed Grin1 40 - - -
reviewed BXGT009831 Glutamate receptor ionotropic, NMDA 1 reviewed Grin1 1520 - - -
reviewed BXGT009831 Glutamate receptor ionotropic, NMDA 1 reviewed Grin1 286 - - -
reviewed BXGT009831 Glutamate receptor ionotropic, NMDA 1 reviewed Grin1 2820 - - -
reviewed BXGT021402 Sigma non-opioid intracellular receptor 1 reviewed Sigmar1 29 - - -
reviewed BXGT021402 Sigma non-opioid intracellular receptor 1 reviewed Sigmar1 23 - - -
reviewed BXGT021402 Sigma non-opioid intracellular receptor 1 reviewed Sigmar1 43 - - -
reviewed BXGT005060 5-hydroxytryptamine receptor 3A reviewed HTR3A 857.7 - - -
reviewed BXGT005060 5-hydroxytryptamine receptor 3A reviewed HTR3A 15.5 - - -
reviewed BXGT005060 5-hydroxytryptamine receptor 3A reviewed HTR3A 195 - - -
reviewed BXGT014808 Nischarin reviewed Nisch >10000 - - -
reviewed BXGT010223 Delta-type opioid receptor reviewed G-protein coupled receptor OPRD1 49.3 - - -
reviewed BXGT011860 Delta-type opioid receptor (Fragment) reviewed OPRD1 32.7 - - -
reviewed BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 2.2 - - -
reviewed BXGT010224 Kappa-type opioid receptor reviewed OPRK1 4.4 - - -
reviewed BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 3.9 - - -
reviewed BXGT012199 Mu-type opioid receptor (Fragment) reviewed OPRM1 5.7 - - -
reviewed BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 2.7 - - -
reviewed BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 - - - 61
reviewed BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 - 280 - -
reviewed BXGT009731 Mu-type opioid receptor reviewed Oprm1 6.9 - - -
reviewed BXGT010224 Kappa-type opioid receptor reviewed OPRK1 75 - - -
reviewed BXGT015986 Sigma non-opioid intracellular receptor 1 reviewed SIGMAR1 5 - - -
reviewed BXGT019955 Sigma non-opioid intracellular receptor 1 reviewed SIGMAR1 36 - - -
reviewed BXGT015986 Sigma non-opioid intracellular receptor 1 reviewed SIGMAR1 5.4 - - -
reviewed BXGT015986 Sigma non-opioid intracellular receptor 1 reviewed SIGMAR1 2.2 - - -
reviewed BXGT009731 Mu-type opioid receptor reviewed Oprm1 - 46 - -
reviewed BXGT009731 Mu-type opioid receptor reviewed Oprm1 - 87 - -
reviewed BXGT009731 Mu-type opioid receptor reviewed Oprm1 - 13 - -
reviewed BXGT009731 Mu-type opioid receptor reviewed Oprm1 - 53 - -
reviewed BXGT019955 Sigma non-opioid intracellular receptor 1 reviewed SIGMAR1 3.1 - - -
reviewed BXGT019955 Sigma non-opioid intracellular receptor 1 reviewed SIGMAR1 3.8 - - -
reviewed BXGT016037 Vesicular acetylcholine transporter reviewed Slc18a3 >10000 - - -
CHEMBL CHEMBL560
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
Q60492 BXGT015986 Sigma non-opioid intracellular receptor 1 reviewed - SIGMAR1 Ki '=' 5 nM
Q60492 BXGT015986 Sigma non-opioid intracellular receptor 1 reviewed - SIGMAR1 Ki '=' 15 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00402 Opium poppy Papaver somniferum 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