Showing entry for (R)-Verapamil


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0021716
Compound Name(R)-Verapamil
Structure
FormulaC27H38N2O4
InchiKeySGTNSNPWRIOYBX-HHHXNRCGSA-N
SMILESCOc1ccc(cc1OC)CCN(CCC[C@](c1ccc(c(c1)OC)OC)(C(C)C)C#N)C
InchiInChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/t27-/m1/s1
IUPAC(2R)-2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile
Molecular Weight454.28
Pubchem Id65808
Chembl IdCHEMBL197
Targets of Information Source
DrugBank DB14063
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
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 experimental inhibitor
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 50338982
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 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 6460 - - -
reviewed BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 - 2370 - -
reviewed BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 1600 - - -
reviewed BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 - 6300 - -
reviewed BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 5100 - - -
reviewed BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 - 5520 - -
reviewed BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 - 2580 - -
reviewed BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 - 400 - -
reviewed BXGT021792 ATP-binding cassette sub-family G member 2 reviewed Transporter ABCG2 - >50000 - -
reviewed BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 - 2100 - -
reviewed BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 - 42000 - -
reviewed BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 - 38200 - -
reviewed BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 - 4700 - -
reviewed BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 - 28900 - -
reviewed BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 - 446500 - -
reviewed BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 - 6500 - -
reviewed BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 - 4200 - -
reviewed BXGT005373 Bile salt export pump reviewed Transporter ABCB11 - 178900 - -
reviewed BXGT005373 Bile salt export pump reviewed Transporter ABCB11 - 79100 - -
reviewed BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 15100 - - -
reviewed BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 - 8440 - -
reviewed BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 - - - 20000
reviewed BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 - 4571 - -
reviewed BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 - 6607 - -
reviewed BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 - 134896288 - -
reviewed BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 - 5800 - -
reviewed BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 - 5754 - -
reviewed BXGT005955 Serum albumin reviewed Transporter ALB - - 645654 -
reviewed BXGT021792 ATP-binding cassette sub-family G member 2 reviewed Transporter ABCG2 - 524807 - -
reviewed BXGT009728 Multidrug resistance-associated protein 1 reviewed Transporter ABCC1 - 9660 - -
reviewed BXGT019389 Canalicular multispecific organic anion transporter 1 reviewed Transporter ABCC2 - >200000 - -
reviewed BXGT004141 Solute carrier family 22 member 1 reviewed Transporter SLC22A1 - 6800 - -
reviewed BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 - 14000 - -
reviewed BXGT021119 Chloroquine resistance transporter reviewed CRT - 30000 - -
CHEMBL CHEMBL197
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
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Ki '=' 5100 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 11220 nM
P10253 BXGT007550 Lysosomal alpha-glucosidase reviewed Enzyme GAA Potency '=' 50118 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 8912 nM
P33527 BXGT009728 Multidrug resistance-associated protein 1 reviewed Transporter ABCC1 Kd '=' 35 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Kinact '=' 0 min-1
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 IC50 '=' 2370 nM
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 Ki '=' 1600 nM
P33527 BXGT009728 Multidrug resistance-associated protein 1 reviewed Transporter ABCC1 Activity - - -
P42858 BXGT010341 Huntingtin reviewed - HTT Potency '=' 35481 nM
P04062 BXGT006140 Lysosomal acid glucosylceramidase reviewed - GBA Potency - 28183 nM
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 Activity '=' 80 %
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Kinact '=' 0 min-1
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 Activity '=' 32 %
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 IC50 '=' 2580 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Ki '=' 6460 nM
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 IC50 '=' 5520 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00139 Pepper (Spice) Piper nigrum 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