Showing entry for Rel-Pentazocine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0051494
Compound NameRel-Pentazocine
Structure
FormulaC19H27NO
InchiKeyVOKSWYLNZZRQPF-NIKGAXFTSA-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-/m1/s1
IUPAC
Molecular Weight285.21
Pubchem Id9669
Chembl IdCHEMBL397705
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 50407300
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 BXGT021402 Sigma non-opioid intracellular receptor 1 reviewed Sigmar1 - 8.9 - -
reviewed BXGT021402 Sigma non-opioid intracellular receptor 1 reviewed Sigmar1 - 29 - -
reviewed BXGT021402 Sigma non-opioid intracellular receptor 1 reviewed Sigmar1 37 - - -
reviewed BXGT021402 Sigma non-opioid intracellular receptor 1 reviewed Sigmar1 16 - - -
reviewed BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 2.2 - - -
reviewed BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 3.9 - - -
reviewed BXGT010223 Delta-type opioid receptor reviewed G-protein coupled receptor OPRD1 49 - - -
reviewed BXGT010223 Delta-type opioid receptor reviewed G-protein coupled receptor OPRD1 180 - - -
reviewed BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 6.9 - - -
reviewed BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 3 - - -
reviewed BXGT009731 Mu-type opioid receptor reviewed Oprm1 13 - - -
reviewed BXGT019955 Sigma non-opioid intracellular receptor 1 reviewed SIGMAR1 110 - - -
reviewed BXGT019955 Sigma non-opioid intracellular receptor 1 reviewed SIGMAR1 83.1 - - -
reviewed BXGT019955 Sigma non-opioid intracellular receptor 1 reviewed SIGMAR1 36.5 - - -
reviewed BXGT015986 Sigma non-opioid intracellular receptor 1 reviewed SIGMAR1 83.4 - - -
CHEMBL CHEMBL397705
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
Q9R0C9 BXGT021402 Sigma non-opioid intracellular receptor 1 reviewed - Sigmar1 IC50 '=' 8 nM
Q9R0C9 BXGT021402 Sigma non-opioid intracellular receptor 1 reviewed - Sigmar1 Ki '=' 16 nM
Q63380 BXGT016069 Transporter unreviewed - NET Ki - - -
Q99720 BXGT019955 Sigma non-opioid intracellular receptor 1 reviewed - SIGMAR1 Ki '=' 83 nM
Q9R0C9 BXGT021402 Sigma non-opioid intracellular receptor 1 reviewed - Sigmar1 Ki '=' 36 nM
Q9R0C9 BXGT021402 Sigma non-opioid intracellular receptor 1 reviewed - Sigmar1 Ratio '=' 0 -
Q9R0C9 BXGT021402 Sigma non-opioid intracellular receptor 1 reviewed - Sigmar1 IC50 '=' 170 nM
P41143 BXGT010223 Delta-type opioid receptor reviewed G-protein coupled receptor OPRD1 Ki '=' 180 nM
Q60492 BXGT015986 Sigma non-opioid intracellular receptor 1 reviewed - SIGMAR1 Ki '=' 83 nM
P31652 BXGT009565 Sodium-dependent serotonin transporter reviewed - Slc6a4 Ki - - -
P23977 BXGT008936 Sodium-dependent dopamine transporter reviewed - Slc6a3 Ki - - -
P35372 BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 Ki '=' 3 nM
Q99720 BXGT019955 Sigma non-opioid intracellular receptor 1 reviewed - SIGMAR1 Ki '=' 36 nM
P41143 BXGT010223 Delta-type opioid receptor reviewed G-protein coupled receptor OPRD1 Ki '=' 49 nM
P35372 BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 Ki '=' 6 nM
Q99720 BXGT019955 Sigma non-opioid intracellular receptor 1 reviewed - SIGMAR1 Ratio '=' 0 -
Q9R0C9 BXGT021402 Sigma non-opioid intracellular receptor 1 reviewed - Sigmar1 Ratio '=' 0 -
Q99720 BXGT019955 Sigma non-opioid intracellular receptor 1 reviewed - SIGMAR1 Ki '=' 110 nM
P41144 BXGT010224 Kappa-type opioid receptor reviewed - OPRK1 Ki '=' 3 nM
P33535 BXGT009731 Mu-type opioid receptor reviewed - Oprm1 Ki '=' 13 nM
P41145 BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 Ki '=' 3 nM
P41145 BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 Ki '=' 2 nM
P97266 BXGT012199 Mu-type opioid receptor reviewed - OPRM1 Ki '=' 4 nM
Q9R0C9 BXGT021402 Sigma non-opioid intracellular receptor 1 reviewed - Sigmar1 Ki '=' 15 nM
Q9R0C9 BXGT021402 Sigma non-opioid intracellular receptor 1 reviewed - Sigmar1 IC50 '=' 29 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