Natural Product: NPC318591

Natural Product ID:  NPC318591
Common Name:   Propranolol
IUPAC Name:   1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
Synonyms:   Inderal; Inderide-40/25; Inderide-80/25; Propranolol
Molecular Formula:   C16H21NO2
Standard InCHIKey:  AQHHHDLHHXJYJD-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
Canonical SMILES:  OC(COc1cccc2c1cccc2)CNC(C)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO1797 Homo sapiens Species Hominidae Eukaryota blood serum PMID[25518943]
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[19309105]
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota TCM_Taiwan*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT605 Organism Homo sapiens Homo sapiens IC50 = 178400 nM 1501222
NPT938 Organism Cavia porcellus Cavia porcellus Kd = 1.995 nM 6135805
NPT938 Organism Cavia porcellus Cavia porcellus Kd = 1.259 nM 6135805
NPT1386 Protein Family Adrenergic receptor beta Homo sapiens Kd = 2.399 nM 6147415
NPT1386 Protein Family Adrenergic receptor beta Homo sapiens Kd = 3.631 nM 6147415
NPT32 Organism Mus musculus Mus musculus LD50 = 29.2 mg/kg 6147415
NPT1386 Protein Family Adrenergic receptor beta Homo sapiens Activity = 1.76 10.1016/S0960-894X(97)00046-2
NPT225 Individual Protein Beta-1 adrenergic receptor Homo sapiens Ki = 2.3 nM 8093626
NPT4333 Protein Family Adrenergic receptor beta Rattus norvegicus ED50 = 0.18 mg/kg 8093626
NPT4333 Protein Family Adrenergic receptor beta Rattus norvegicus ED50 = 22.23 mg/kg 8093626
NPT288 Individual Protein Serotonin 1a (5-HT1a) receptor Rattus norvegicus Ki = 90 nM 2539480
NPT289 Individual Protein Serotonin 1b (5-HT1b) receptor Rattus norvegicus Ki = 50 nM 2539480
NPT4333 Protein Family Adrenergic receptor beta Rattus norvegicus Ki = 2.4 nM 2539480
NPT4913 Individual Protein Beta-1 adrenergic receptor Cavia porcellus Kd = 1.995 nM 6130154
NPT4914 Individual Protein Beta-2 adrenergic receptor Cavia porcellus Kd = 1.259 nM 6130154
NPT4913 Individual Protein Beta-1 adrenergic receptor Cavia porcellus Kd = 46 nM 6130154
NPT4913 Individual Protein Beta-1 adrenergic receptor Cavia porcellus Kd > 60 nM 6130154
NPT2840 Protein Family Adrenergic receptor alpha Homo sapiens Kd > 100000 nM 6124636
NPT2 Others Unspecified Kd = 1.549 nM 6124636
NPT2 Others Unspecified Kd = 4.677 nM 6124636
NPT288 Individual Protein Serotonin 1a (5-HT1a) receptor Rattus norvegicus Ki = 113 nM 8230102
NPT4663 Individual Protein Beta-2 adrenergic receptor Canis lupus familiaris ED50 = 0.124 mg/kg 6138434
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 0.143 mg/kg 6138434
NPT5860 Others Adrenergic receptor beta; ADRB1 & ADRB2 Homo sapiens Ratio = 0.043 6138434
NPT2 Others Unspecified Ratio = 0.87 6138434
NPT2 Others Unspecified Ratio = 2 3031293
NPT4913 Individual Protein Beta-1 adrenergic receptor Cavia porcellus Kd = 2.399 nM 2861288
NPT4914 Individual Protein Beta-2 adrenergic receptor Cavia porcellus Kd = 3.388 nM 2861288
NPT973 Individual Protein Serotonin 1b (5-HT1b) receptor Homo sapiens Ki > 10000 nM 9435911
NPT1386 Protein Family Adrenergic receptor beta Homo sapiens Kd = 1.995 nM 6146718
NPT1386 Protein Family Adrenergic receptor beta Homo sapiens Kd = 1.259 nM 6146718
NPT1016 Organism Canis familiaris Canis lupus familiaris Inhibition = 68 % 6146718
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.216 3001305
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 9.05 ml 3001305
NPT225 Individual Protein Beta-1 adrenergic receptor Homo sapiens ID50 = 0.069 mg/kg 3001305
NPT4663 Individual Protein Beta-2 adrenergic receptor Canis lupus familiaris ID50 = 0.038 mg/kg 3001305
NPT4913 Individual Protein Beta-1 adrenergic receptor Cavia porcellus Kd = 2.512 nM 2903245
NPT4914 Individual Protein Beta-2 adrenergic receptor Cavia porcellus Kd = 3.388 nM 2903245
NPT2 Others Unspecified Ratio = 1.5 2903245
NPT1386 Protein Family Adrenergic receptor beta Homo sapiens Inhibition = 62 ug kg-1 6106716
NPT1386 Protein Family Adrenergic receptor beta Homo sapiens Inhibition = 85 % 6106716
NPT4558 Individual Protein Beta-1 adrenergic receptor Rattus norvegicus ED50 = 0.071 mg/kg 2866246
NPT4632 Individual Protein Beta-2 adrenergic receptor Rattus norvegicus ED50 = 0.042 mg/kg 2866246
NPT4558 Individual Protein Beta-1 adrenergic receptor Rattus norvegicus ED30 > 1000 ug kg-1 2866246
NPT4913 Individual Protein Beta-1 adrenergic receptor Cavia porcellus Kd = 3.09 nM 6330358
NPT4663 Individual Protein Beta-2 adrenergic receptor Canis lupus familiaris Kd = 1.778 nM 6330358
NPT1386 Protein Family Adrenergic receptor beta Homo sapiens IC50 = 12 nM 1976812
NPT225 Individual Protein Beta-1 adrenergic receptor Homo sapiens IC50 = 18 nM 1976812
NPT4663 Individual Protein Beta-2 adrenergic receptor Canis lupus familiaris IC50 = 17 nM 1976812
NPT4913 Individual Protein Beta-1 adrenergic receptor Cavia porcellus Kd = 2.399 nM 6148422
NPT4914 Individual Protein Beta-2 adrenergic receptor Cavia porcellus Kd = 3.388 nM 6148422
NPT4913 Individual Protein Beta-1 adrenergic receptor Cavia porcellus Kd = 1.738 nM 6134834
NPT4914 Individual Protein Beta-2 adrenergic receptor Cavia porcellus Kd = 3.02 nM 6134834
NPT5860 Others Adrenergic receptor beta; ADRB1 & ADRB2 Homo sapiens Ratio = 2 6134834
NPT938 Organism Cavia porcellus Cavia porcellus Kd = 7.586 nM 7908697
NPT938 Organism Cavia porcellus Cavia porcellus Kd = 3.802 nM 7908697
NPT938 Organism Cavia porcellus Cavia porcellus Kd = 5.012 nM 9572886
NPT938 Organism Cavia porcellus Cavia porcellus Kd = 7.943 nM 9572886
NPT4333 Protein Family Adrenergic receptor beta Rattus norvegicus IC50 = 3 nM 9572886
NPT968 Protein Family Adrenergic receptor alpha-1 Rattus norvegicus IC50 > 100000 nM 9572886
NPT4333 Protein Family Adrenergic receptor beta Rattus norvegicus Inhibition = 100 % 9572886
NPT4558 Individual Protein Beta-1 adrenergic receptor Rattus norvegicus Kd = 2.399 nM 9572886
NPT4558 Individual Protein Beta-1 adrenergic receptor Rattus norvegicus Kd = 2630.27 nM 9572886
NPT4913 Individual Protein Beta-1 adrenergic receptor Cavia porcellus IC50 = 34.67 nM 8230093
NPT4914 Individual Protein Beta-2 adrenergic receptor Cavia porcellus IC50 = 28.84 nM 8230093
NPT4913 Individual Protein Beta-1 adrenergic receptor Cavia porcellus EC50 = 1911.6 ug 6120233
NPT4914 Individual Protein Beta-2 adrenergic receptor Cavia porcellus EC50 = 10229 ug 6120233
NPT4913 Individual Protein Beta-1 adrenergic receptor Cavia porcellus Ratio = 12.05 6120233
NPT4914 Individual Protein Beta-2 adrenergic receptor Cavia porcellus Ratio = 4.67 6120233
NPT29 Organism Rattus norvegicus Rattus norvegicus Ki > 5000 nM 1825848
NPT1386 Protein Family Adrenergic receptor beta Homo sapiens ED50 = 0.062 mg/kg 6128420
NPT1386 Protein Family Adrenergic receptor beta Homo sapiens Inhibition = 85 % 6128420
NPT4913 Individual Protein Beta-1 adrenergic receptor Cavia porcellus Kd = 2.399 nM 6104730
NPT4914 Individual Protein Beta-2 adrenergic receptor Cavia porcellus Kd = 3.388 nM 6104730
NPT5860 Others Adrenergic receptor beta; ADRB1 & ADRB2 Homo sapiens Ratio = 0.7 6104730
NPT1858 Individual Protein Dopamine D2 receptor Rattus norvegicus Ki > 10000 nM 2136916
NPT1386 Protein Family Adrenergic receptor beta Homo sapiens Inhibition = 85 % 6118435
NPT5860 Others Adrenergic receptor beta; ADRB1 & ADRB2 Homo sapiens ED50 = 0.11 mg/kg 6145801
NPT5860 Others Adrenergic receptor beta; ADRB1 & ADRB2 Homo sapiens ED50 = 0.41 mg/kg 6145801
NPT938 Organism Cavia porcellus Cavia porcellus ED50 = 1.01E-08 nM 6145801
NPT2 Others Unspecified Ratio = 3.7 6145801
NPT4333 Protein Family Adrenergic receptor beta Rattus norvegicus Ki = 6.5 nM 2883317
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 100 % 2883317
NPT1016 Organism Canis familiaris Canis lupus familiaris ED50 = 0.019 mg/kg 6102151
NPT1016 Organism Canis familiaris Canis lupus familiaris ED50 = 0.051 mg/kg 6102151
NPT4913 Individual Protein Beta-1 adrenergic receptor Cavia porcellus Kd = 8.71 nM 6120237
NPT4914 Individual Protein Beta-2 adrenergic receptor Cavia porcellus Kd = 43.65 nM 6120237
NPT1386 Protein Family Adrenergic receptor beta Homo sapiens IC50 = 4 nM 3560162
NPT2838 Individual Protein Beta-1 adrenergic receptor Sus scrofa ED50 = 0.05 mg/kg 2435902
NPT2839 Individual Protein Beta-2 adrenergic receptor Sus scrofa ED50 = 0.1 mg/kg 2435902
NPT29 Organism Rattus norvegicus Rattus norvegicus Ki > 10000 nM 8093734
NPT1386 Protein Family Adrenergic receptor beta Homo sapiens Kb = 0.62 nM 2878080
NPT4333 Protein Family Adrenergic receptor beta Rattus norvegicus ED50 = 0.2 mg/kg 6130155
NPT1403 Organism Felis catus Felis catus ED50 = 0.062 mg/kg 6130155
NPT1403 Organism Felis catus Felis catus Inhibition = 85 % 6130155
NPT4558 Individual Protein Beta-1 adrenergic receptor Rattus norvegicus Kd = 4.365 nM 2884312
NPT4913 Individual Protein Beta-1 adrenergic receptor Cavia porcellus Kd = 12.59 nM 2884312
NPT4333 Protein Family Adrenergic receptor beta Rattus norvegicus IC50 = 30 nM 6124637
NPT225 Individual Protein Beta-1 adrenergic receptor Homo sapiens ID50 = 0.08 umol/kg 2892934
NPT4913 Individual Protein Beta-1 adrenergic receptor Cavia porcellus Kd = 1.738 nM 2872332
NPT4914 Individual Protein Beta-2 adrenergic receptor Cavia porcellus Kd = 0.9772 nM 2872332
NPT5860 Others Adrenergic receptor beta; ADRB1 & ADRB2 Homo sapiens Ratio = 0.56 2872332
NPT3056 Individual Protein Dopamine D3 receptor Rattus norvegicus Ki > 5000 nM 8098771
NPT1386 Protein Family Adrenergic receptor beta Homo sapiens ED50 = 62 mg/kg 6131134
NPT1386 Protein Family Adrenergic receptor beta Homo sapiens Inhibition = 85 % 6131134
NPT1016 Organism Canis familiaris Canis lupus familiaris Kd = 37.15 nM 6115057
NPT1016 Organism Canis familiaris Canis lupus familiaris Kd = 25.12 nM 6115057
NPT1016 Organism Canis familiaris Canis lupus familiaris Kd = 11.22 nM 6115057
NPT4333 Protein Family Adrenergic receptor beta Rattus norvegicus Ki = 1600 nM 2909730
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens Ki = 48000 nM 12477351
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens IC50 = 573000 nM 12477351
NPT1858 Individual Protein Dopamine D2 receptor Rattus norvegicus Ki = 12902 nM 2966245
NPT4333 Protein Family Adrenergic receptor beta Rattus norvegicus Inhibition = 26 % 6102605
NPT4333 Protein Family Adrenergic receptor beta Rattus norvegicus Inhibition = 56 % 6102605
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens IC50 = 1900 nM 15993593
NPT4558 Individual Protein Beta-1 adrenergic receptor Rattus norvegicus Ki = 3.162 nM 16759089
NPT4558 Individual Protein Beta-1 adrenergic receptor Rattus norvegicus Ki = 31.62 nM 16759089
NPT4558 Individual Protein Beta-1 adrenergic receptor Rattus norvegicus Ki = 199.53 nM 16759089
NPT4558 Individual Protein Beta-1 adrenergic receptor Rattus norvegicus Ki = 10 nM 16759089
NPT4558 Individual Protein Beta-1 adrenergic receptor Rattus norvegicus Ki = 39.81 nM 16759089
NPT604 Individual Protein Serum albumin Homo sapiens Kd = 436515.83 nM 18348514
NPT604 Individual Protein Serum albumin Homo sapiens Kd = 354813.39 nM 18348514
NPT604 Individual Protein Serum albumin Homo sapiens Kd = 660693.45 nM 18348514
NPT604 Individual Protein Serum albumin Homo sapiens Kd = 602559.59 nM 18348514
NPT604 Individual Protein Serum albumin Homo sapiens Kd = 630957.34 nM 18348514
NPT612 Individual Protein Canalicular multispecific organic anion transporter 1 Homo sapiens Activity = 69 % 18457386
NPT613 Individual Protein Solute carrier family 22 member 1 Homo sapiens IC50 = 63200 nM 18788725
NPT613 Individual Protein Solute carrier family 22 member 1 Homo sapiens Inhibition = 55.4 % 18788725
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 1.05 mg/kg 19131251
NPT4558 Individual Protein Beta-1 adrenergic receptor Rattus norvegicus Ki = 9700 nM 19131251
NPT6026 Individual Protein Aromatic peroxygenase Agrocybe aegerita Activity = 13.6 % 19394224
NPT2 Others Unspecified Activity = 0.5 % 19394224
NPT226 Individual Protein Beta-2 adrenergic receptor Homo sapiens Kd = 0.79 nM 19168263
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 7.6 mg/kg 19447527
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 1.05 mg/kg 19647907
NPT2 Others Unspecified Activity = 17.2 % 20170117
NPT2 Others Unspecified Activity = 13.9 % 20170117
NPT492 Cell Line Caco-2 Homo sapiens Ratio = 1.3 19762238
NPT605 Organism Homo sapiens Homo sapiens Activity = 0.99 % 20022146
NPT306 Cell Line PC-3 Homo sapiens FC = 0.986 16680159
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae Potency = 11582.1 nM PubChem BioAssay data set
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 41.4 % 21211966
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 3162.3 nM PubChem BioAssay data set
NPT1139 Individual Protein Arachidonate 15-lipoxygenase, type II Homo sapiens Potency 25118.9 nM PubChem BioAssay data set
NPT242 Individual Protein Dopamine D1 receptor Homo sapiens Potency 14125.4 nM PubChem BioAssay data set
NPT492 Cell Line Caco-2 Homo sapiens Ratio = 1.21 21764308
NPT227 Individual Protein Beta-3 adrenergic receptor Homo sapiens Kd = 162.18 nM 21870877
NPT226 Individual Protein Beta-2 adrenergic receptor Homo sapiens Kd = 0.2399 nM 21870877
NPT225 Individual Protein Beta-1 adrenergic receptor Homo sapiens Kd = 199.53 nM 21870877
NPT225 Individual Protein Beta-1 adrenergic receptor Homo sapiens Kd = 1.82 nM 21870877
NPT227 Individual Protein Beta-3 adrenergic receptor Homo sapiens Kd = 213.8 nM 21870877
NPT226 Individual Protein Beta-2 adrenergic receptor Homo sapiens Kd = 0.6026 nM 21870877
NPT225 Individual Protein Beta-1 adrenergic receptor Homo sapiens Kd = 6.026 nM 21870877
NPT478 Individual Protein Ataxin-2 Homo sapiens Potency 14125.4 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 39810.7 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 44668.4 nM PubChem BioAssay data set
NPT519 Cell Line SH-SY5Y Homo sapiens Potency 3981.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29081 nM PubChem BioAssay data set
NPT901 Individual Protein UDP-glucuronosyltransferase 1-1 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT703 Individual Protein UDP-glucuronosyltransferase 1-9 Homo sapiens Activity = 40 pm/min/mg 10836148
NPT700 Individual Protein UDP-glucuronosyltransferase 2B10 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT701 Individual Protein UDP-glucuronosyltransferase 2B4 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT697 Individual Protein UDP-glucuronosyltransferase 2B7 Homo sapiens Activity = 0.2 pm/min/mg 10836148
NPT225 Individual Protein Beta-1 adrenergic receptor Homo sapiens IC50 = 2.543 nM DrugMatrix in vitro pharmacology data
NPT225 Individual Protein Beta-1 adrenergic receptor Homo sapiens Ki = 1.468 nM DrugMatrix in vitro pharmacology data
NPT226 Individual Protein Beta-2 adrenergic receptor Homo sapiens IC50 = 1.116 nM DrugMatrix in vitro pharmacology data
NPT226 Individual Protein Beta-2 adrenergic receptor Homo sapiens Ki = 0.767 nM DrugMatrix in vitro pharmacology data
NPT227 Individual Protein Beta-3 adrenergic receptor Homo sapiens IC50 = 132 nM DrugMatrix in vitro pharmacology data
NPT227 Individual Protein Beta-3 adrenergic receptor Homo sapiens Ki = 99 nM DrugMatrix in vitro pharmacology data
NPT208 Individual Protein Cytochrome P450 1A2 Homo sapiens IC50 = 4000 nM DrugMatrix in vitro pharmacology data
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens IC50 = 2000 nM DrugMatrix in vitro pharmacology data
NPT288 Individual Protein Serotonin 1a (5-HT1a) receptor Rattus norvegicus IC50 = 243 nM DrugMatrix in vitro pharmacology data
NPT288 Individual Protein Serotonin 1a (5-HT1a) receptor Rattus norvegicus Ki = 139 nM DrugMatrix in vitro pharmacology data
NPT290 Individual Protein Serotonin 2a (5-HT2a) receptor Homo sapiens IC50 = 1466 nM DrugMatrix in vitro pharmacology data
NPT290 Individual Protein Serotonin 2a (5-HT2a) receptor Homo sapiens Ki = 419 nM DrugMatrix in vitro pharmacology data
NPT291 Individual Protein Serotonin 2b (5-HT2b) receptor Homo sapiens IC50 = 342 nM DrugMatrix in vitro pharmacology data
NPT291 Individual Protein Serotonin 2b (5-HT2b) receptor Homo sapiens Ki = 218 nM DrugMatrix in vitro pharmacology data
NPT292 Individual Protein Serotonin 2c (5-HT2c) receptor Homo sapiens IC50 = 2294 nM DrugMatrix in vitro pharmacology data
NPT292 Individual Protein Serotonin 2c (5-HT2c) receptor Homo sapiens Ki = 1202 nM DrugMatrix in vitro pharmacology data
NPT294 Individual Protein Serotonin 6 (5-HT6) receptor Homo sapiens IC50 = 3065 nM DrugMatrix in vitro pharmacology data
NPT294 Individual Protein Serotonin 6 (5-HT6) receptor Homo sapiens Ki = 1423 nM DrugMatrix in vitro pharmacology data
NPT295 Individual Protein Serotonin transporter Homo sapiens IC50 = 380 nM DrugMatrix in vitro pharmacology data
NPT295 Individual Protein Serotonin transporter Homo sapiens Ki = 202 nM DrugMatrix in vitro pharmacology data
NPT296 Individual Protein Sigma opioid receptor Homo sapiens IC50 = 2870 nM DrugMatrix in vitro pharmacology data
NPT296 Individual Protein Sigma opioid receptor Homo sapiens Ki = 1206 nM DrugMatrix in vitro pharmacology data
NPT2 Others Unspecified IC50 = 3467 nM DrugMatrix in vitro pharmacology data
NPT2 Others Unspecified Ki = 2134 nM DrugMatrix in vitro pharmacology data
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 37680 nM 22196513
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 10190 nM 22196513
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Ratio IC50 = 0.27 22196513
NPT1161 Cell Line CHO Cricetulus griseus IC50 > 300000 nM 22196513
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Activity = 5.35 % 22196513
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Activity = -3.48 % 22196513
NPT492 Cell Line Caco-2 Homo sapiens Ratio = 1.27 22464423
NPT492 Cell Line Caco-2 Homo sapiens Ratio = 0.78 22464423
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 1.05 mg/kg 22381672
NPT433 Subcellular Liver microsomes Homo sapiens Activity = 0.094 nmol 22931300
NPT748 Individual Protein Bile acid transporter Homo sapiens IC50 = 5500 nM 10565843
NPT478 Individual Protein Ataxin-2 Homo sapiens Potency 22387.2 nM PubChem BioAssay data set
NPT622 Individual Protein Solute carrier organic anion transporter family member 2B1 Homo sapiens Inhibition = 10.1 % 22541068
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 12.8 % 22541068
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 8.9 % 22541068
NPT4558 Individual Protein Beta-1 adrenergic receptor Rattus norvegicus Ki = 3 nM 10.1007/s00044-008-9094-3
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 400 bpm 10.1007/s00044-010-9374-6
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 333 bpm 10.1007/s00044-010-9374-6
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.13 mV 10.1007/s00044-010-9374-6
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.04 mV 10.1007/s00044-010-9374-6
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.02 mV 10.1007/s00044-010-9374-6
NPT4558 Individual Protein Beta-1 adrenergic receptor Rattus norvegicus Inhibition = -1.16 % 10.1007/s00044-012-0099-6
NPT4558 Individual Protein Beta-1 adrenergic receptor Rattus norvegicus Inhibition = 63.91 % 10.1007/s00044-012-0099-6
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 1.05 mg/kg 23245804
NPT171 Cell Line MRC5 Homo sapiens GI50 = 150000 nM 23462711
NPT2 Others Unspecified GI50 = 109000 nM 23462711
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 = 205000 nM 23462711
NPT2 Others Unspecified GI50 = 149000 nM 23462711
NPT2 Others Unspecified Potency 16360.1 nM PubChem BioAssay data set
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 362.3 bpm 23538234
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 360.1 bpm 23538234
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 349.6 bpm 23538234
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 350.6 bpm 23538234
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 339.9 bpm 23538234
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 340 bpm 23538234
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 132.6 mmHg 23538234
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 120.9 mmHg 23538234
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 108.3 mmHg 23538234
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 116.8 mmHg 23538234
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 122.6 mmHg 23538234
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 145 mmHg 23538234
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 116.9 mmHg 23538234
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 100.3 mmHg 23538234
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 88.3 mmHg 23538234
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 94.1 mmHg 23538234
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 105.5 mmHg 23538234
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 127.2 mmHg 23538234
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 163.9 mmHg 23538234
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 161 mmHg 23538234
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 158.4 mmHg 23538234
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 160.6 mmHg 23538234
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 156.8 mmHg 23538234
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 168.7 mmHg 23538234
NPT4558 Individual Protein Beta-1 adrenergic receptor Rattus norvegicus Inhibition = 73.8 % 23538234
NPT4558 Individual Protein Beta-1 adrenergic receptor Rattus norvegicus Inhibition = 49.7 % 23538234
NPT2 Others Unspecified Ki = 7 nM 23787101
NPT226 Individual Protein Beta-2 adrenergic receptor Homo sapiens Ki = 3.69 nM 24326276
NPT226 Individual Protein Beta-2 adrenergic receptor Homo sapiens Ki = 0.46 nM 24326276
NPT857 Cell Line LLC-PK1 Sus scrofa Ratio = 2 24397738
NPT104 Individual Protein Cerebroside-sulfatase Homo sapiens Potency 2133.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 19952.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 22387.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5623.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Ratio = 1.6 37339
NPT4913 Individual Protein Beta-1 adrenergic receptor Cavia porcellus Kd = 9.55 nM 34040
NPT4913 Individual Protein Beta-1 adrenergic receptor Cavia porcellus Kd = 14.13 nM 34040
NPT4914 Individual Protein Beta-2 adrenergic receptor Cavia porcellus Kd = 14.79 nM 34040
NPT4914 Individual Protein Beta-2 adrenergic receptor Cavia porcellus FC = 1 34040
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 92.56 mmHg 24637077
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 79.43 mmHg 24637077
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 62.96 mmHg 24637077
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 65.87 mmHg 24637077
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 70.21 mmHg 24637077
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 195.12 mmHg 24637077
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 171.73 mmHg 24637077
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 148.53 mmHg 24637077
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 120.32 mmHg 24637077
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 152.26 mmHg 24637077
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 95 % 17752
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 32 % 17752
NPT1403 Organism Felis catus Felis catus Inhibition = 87 % 17752
NPT1403 Organism Felis catus Felis catus Inhibition = 100 % 17752
NPT1403 Organism Felis catus Felis catus Inhibition = 85 % 17752
NPT938 Organism Cavia porcellus Cavia porcellus Inhibition = 100 % 17752
NPT32 Organism Mus musculus Mus musculus Inhibition = 93 % 17752
NPT32 Organism Mus musculus Mus musculus LD50 = 35 mg/kg 17752
NPT4913 Individual Protein Beta-1 adrenergic receptor Cavia porcellus Kd = 1.995 nM 31474
NPT4914 Individual Protein Beta-2 adrenergic receptor Cavia porcellus Kd = 1.38 nM 31474
NPT2 Others Unspecified IC50 = 0.01 ug/ml 31485
NPT2 Others Unspecified Activity = 0.31 10'-3mg/ml 31485
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 12 mmHg 42797
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 7 mmHg 42797
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 14 mmHg 42797
NPT1016 Organism Canis familiaris Canis lupus familiaris ED50 = 0.019 mg/kg 42797
NPT1016 Organism Canis familiaris Canis lupus familiaris ED50 = 0.051 mg/kg 42797
NPT2 Others Unspecified Kd = 6.31 nM 15112
NPT938 Organism Cavia porcellus Cavia porcellus Activity = 141 mmHg 15112
NPT938 Organism Cavia porcellus Cavia porcellus Activity = 119 mmHg 15112
NPT1403 Organism Felis catus Felis catus Activity = 45 % 22756
NPT1403 Organism Felis catus Felis catus Activity = -100 % 22756
NPT4914 Individual Protein Beta-2 adrenergic receptor Cavia porcellus Kd = 240.88 nM 22756
NPT4913 Individual Protein Beta-1 adrenergic receptor Cavia porcellus Kd = 253.4 nM 22756
NPT938 Organism Cavia porcellus Cavia porcellus Activity = 117 mmHg 15112
NPT1403 Organism Felis catus Felis catus ED50 = 62 mg/kg 16137
NPT1403 Organism Felis catus Felis catus Inhibition = 85 % 16137
NPT1016 Organism Canis familiaris Canis lupus familiaris Inhibition = 98.4 % 22752
NPT1016 Organism Canis familiaris Canis lupus familiaris Inhibition = 95.8 % 22752
NPT1016 Organism Canis familiaris Canis lupus familiaris Inhibition = 90.7 % 22752
NPT1016 Organism Canis familiaris Canis lupus familiaris Inhibition = 96.6 % 22752
NPT1016 Organism Canis familiaris Canis lupus familiaris Inhibition = 40.5 % 22752
NPT1016 Organism Canis familiaris Canis lupus familiaris Inhibition = 80.8 % 22752
NPT1016 Organism Canis familiaris Canis lupus familiaris Inhibition = 85.2 % 22752
NPT1016 Organism Canis familiaris Canis lupus familiaris Inhibition = 63.5 % 22752
NPT1016 Organism Canis familiaris Canis lupus familiaris Inhibition = 62 % 22752
NPT1016 Organism Canis familiaris Canis lupus familiaris Inhibition = 24.7 % 22752
NPT1016 Organism Canis familiaris Canis lupus familiaris ED50 = 0.09 mg/kg 22752
NPT1016 Organism Canis familiaris Canis lupus familiaris ED50 = 0.06 mg/kg 22752
NPT2 Others Unspecified Ratio = 1 25738882
NPT2856 Individual Protein Sodium channel protein type V alpha subunit Homo sapiens IC50 = 2100 nM 21300721
NPT1305 Individual Protein Voltage-dependent L-type calcium channel subunit alpha-1C Cavia porcellus IC50 = 18000 nM 21300721
NPT98 Individual Protein HERG Homo sapiens IC50 = 2828 nM 21300721
NPT1305 Individual Protein Voltage-dependent L-type calcium channel subunit alpha-1C Cavia porcellus IC50 = 18000 nM 22761000
NPT2691 Individual Protein Voltage-gated L-type calcium channel alpha-1C subunit Homo sapiens IC50 = 21000 nM 22761000
NPT627 Individual Protein Cytochrome P450 2B6 Homo sapiens Inhibition < 10 % 21467212
NPT628 Individual Protein Cytochrome P450 2C8 Homo sapiens Inhibition < 10 % 21467212
NPT712 Individual Protein Bile salt export pump Rattus norvegicus IC50 > 1000000 nM 21965623
NPT1463 Individual Protein Cytochrome P450 2J2 Homo sapiens IC50 > 50000 nM 23033255
NPT2 Others Unspecified Ratio = 1.5 21071520
NPT2 Others Unspecified Ratio = 1 21071520
NPT212 Individual Protein Cytochrome P450 2C9 Homo sapiens Inhibition < 10 % 21467212
NPT713 Individual Protein Bile salt export pump Homo sapiens IC50 > 1000000 nM 21965623
NPT213 Individual Protein Cytochrome P450 2C19 Homo sapiens Inhibition < 10 % 21467212
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens Inhibition < 10 % 21467212
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Inhibition < 10 % 21467212
NPT208 Individual Protein Cytochrome P450 1A2 Homo sapiens Inhibition = 25 % 21467212
NPT492 Cell Line Caco-2 Homo sapiens Ratio = 3.1 26344593
NPT492 Cell Line Caco-2 Homo sapiens Ratio = 3.1 26363868
NPT226 Individual Protein Beta-2 adrenergic receptor Homo sapiens IC50 = 50.12 nM 26565745
NPT225 Individual Protein Beta-1 adrenergic receptor Homo sapiens IC50 = 251.19 nM 26565745
NPT92 Individual Protein Serotonin 1a (5-HT1a) receptor Homo sapiens IC50 = 3981.07 nM 26565745
NPT973 Individual Protein Serotonin 1b (5-HT1b) receptor Homo sapiens IC50 > 5011.87 nM 26565745
NPT290 Individual Protein Serotonin 2a (5-HT2a) receptor Homo sapiens IC50 > 5011.87 nM 26565745
NPT291 Individual Protein Serotonin 2b (5-HT2b) receptor Homo sapiens IC50 > 5011.87 nM 26565745
NPT292 Individual Protein Serotonin 2c (5-HT2c) receptor Homo sapiens IC50 > 5011.87 nM 26565745
NPT294 Individual Protein Serotonin 6 (5-HT6) receptor Homo sapiens IC50 > 5011.87 nM 26565745
NPT1785 Individual Protein Serotonin 7 (5-HT7) receptor Homo sapiens IC50 > 5011.87 nM 26565745
NPT217 Individual Protein Adenosine A2a receptor Homo sapiens IC50 > 5011.87 nM 26565745
NPT218 Individual Protein Adenosine A3 receptor Homo sapiens IC50 > 5011.87 nM 26565745
NPT1788 Individual Protein Alpha-1a adrenergic receptor Homo sapiens IC50 > 5011.87 nM 26565745
NPT222 Individual Protein Alpha-2a adrenergic receptor Homo sapiens IC50 > 5011.87 nM 26565745
NPT224 Individual Protein Alpha-2c adrenergic receptor Homo sapiens IC50 > 5011.87 nM 26565745
NPT4358 Individual Protein Type-1 angiotensin II receptor Homo sapiens IC50 > 5011.87 nM 26565745
NPT303 Individual Protein Vasopressin V1a receptor Homo sapiens IC50 > 5011.87 nM 26565745
NPT239 Individual Protein Cholecystokinin A receptor Homo sapiens IC50 > 5011.87 nM 26565745
NPT264 Individual Protein Muscarinic acetylcholine receptor M3 Homo sapiens IC50 > 5011.87 nM 26565745
NPT262 Individual Protein Muscarinic acetylcholine receptor M1 Homo sapiens IC50 > 5011.87 nM 26565745
NPT263 Individual Protein Muscarinic acetylcholine receptor M2 Homo sapiens IC50 > 5011.87 nM 26565745
NPT242 Individual Protein Dopamine D1 receptor Homo sapiens IC50 > 5011.87 nM 26565745
NPT243 Individual Protein Dopamine D2 receptor Homo sapiens IC50 > 5011.87 nM 26565745
NPT247 Individual Protein Endothelin receptor ET-A Homo sapiens IC50 > 5011.87 nM 26565745
NPT271 Individual Protein Delta opioid receptor Homo sapiens IC50 > 5011.87 nM 26565745
NPT272 Individual Protein Kappa opioid receptor Homo sapiens IC50 > 5011.87 nM 26565745
NPT145 Individual Protein Mu opioid receptor Homo sapiens IC50 > 5011.87 nM 26565745
NPT973 Individual Protein Serotonin 1b (5-HT1b) receptor Homo sapiens EC50 > 5011.87 nM 26565745
NPT290 Individual Protein Serotonin 2a (5-HT2a) receptor Homo sapiens EC50 > 5011.87 nM 26565745
NPT291 Individual Protein Serotonin 2b (5-HT2b) receptor Homo sapiens EC50 > 5011.87 nM 26565745
NPT292 Individual Protein Serotonin 2c (5-HT2c) receptor Homo sapiens EC50 > 5011.87 nM 26565745
NPT294 Individual Protein Serotonin 6 (5-HT6) receptor Homo sapiens EC50 > 5011.87 nM 26565745
NPT1785 Individual Protein Serotonin 7 (5-HT7) receptor Homo sapiens EC50 > 5011.87 nM 26565745
NPT217 Individual Protein Adenosine A2a receptor Homo sapiens EC50 > 5011.87 nM 26565745
NPT218 Individual Protein Adenosine A3 receptor Homo sapiens EC50 > 5011.87 nM 26565745
NPT1788 Individual Protein Alpha-1a adrenergic receptor Homo sapiens EC50 > 5011.87 nM 26565745
NPT222 Individual Protein Alpha-2a adrenergic receptor Homo sapiens EC50 > 5011.87 nM 26565745
NPT224 Individual Protein Alpha-2c adrenergic receptor Homo sapiens EC50 > 5011.87 nM 26565745
NPT4358 Individual Protein Type-1 angiotensin II receptor Homo sapiens EC50 > 5011.87 nM 26565745
NPT303 Individual Protein Vasopressin V1a receptor Homo sapiens EC50 > 5011.87 nM 26565745
NPT239 Individual Protein Cholecystokinin A receptor Homo sapiens EC50 > 5011.87 nM 26565745
NPT264 Individual Protein Muscarinic acetylcholine receptor M3 Homo sapiens EC50 > 5011.87 nM 26565745
NPT262 Individual Protein Muscarinic acetylcholine receptor M1 Homo sapiens EC50 > 5011.87 nM 26565745
NPT263 Individual Protein Muscarinic acetylcholine receptor M2 Homo sapiens EC50 > 5011.87 nM 26565745
NPT242 Individual Protein Dopamine D1 receptor Homo sapiens EC50 > 5011.87 nM 26565745
NPT243 Individual Protein Dopamine D2 receptor Homo sapiens EC50 > 5011.87 nM 26565745
NPT247 Individual Protein Endothelin receptor ET-A Homo sapiens EC50 > 5011.87 nM 26565745
NPT271 Individual Protein Delta opioid receptor Homo sapiens EC50 > 5011.87 nM 26565745
NPT272 Individual Protein Kappa opioid receptor Homo sapiens EC50 > 5011.87 nM 26565745
NPT145 Individual Protein Mu opioid receptor Homo sapiens EC50 > 5011.87 nM 26565745
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens IC50 > 10000 nM 26565745
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens IC50 = 5011.87 nM 26565745
NPT208 Individual Protein Cytochrome P450 1A2 Homo sapiens IC50 > 10000 nM 26565745
NPT213 Individual Protein Cytochrome P450 2C19 Homo sapiens IC50 > 10000 nM 26565745
NPT628 Individual Protein Cytochrome P450 2C8 Homo sapiens IC50 > 10000 nM 26565745
NPT212 Individual Protein Cytochrome P450 2C9 Homo sapiens IC50 > 10000 nM 26565745
NPT616 Cell Line MDCK Canis lupus familiaris Ratio = 1.1 26565745
NPT65 Cell Line HepG2 Homo sapiens EC20 > 0.1 nM 26565745

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC318591 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
1.0 High Similarity NPC231163
0.9147 High Similarity NPC141739
0.9147 High Similarity NPC136112
0.8855 High Similarity NPC320242
0.8467 Intermediate Similarity NPC307123
0.8467 Intermediate Similarity NPC97870
0.8467 Intermediate Similarity NPC247018
0.7883 Intermediate Similarity NPC328267
0.7877 Intermediate Similarity NPC204546
0.7843 Intermediate Similarity NPC477564
0.7843 Intermediate Similarity NPC2295
0.7597 Intermediate Similarity NPC76213
0.7597 Intermediate Similarity NPC277669
0.7582 Intermediate Similarity NPC207824
0.7582 Intermediate Similarity NPC60538
0.7574 Intermediate Similarity NPC329980
0.7516 Intermediate Similarity NPC29647
0.75 Intermediate Similarity NPC124433
0.75 Intermediate Similarity NPC293871
0.7482 Intermediate Similarity NPC211992
0.7468 Intermediate Similarity NPC79328
0.7468 Intermediate Similarity NPC477565
0.7468 Intermediate Similarity NPC103379
0.7463 Intermediate Similarity NPC26524
0.7451 Intermediate Similarity NPC476151
0.7432 Intermediate Similarity NPC253429
0.7429 Intermediate Similarity NPC71090
0.7429 Intermediate Similarity NPC298486
0.7407 Intermediate Similarity NPC476573
0.7407 Intermediate Similarity NPC470837
0.7407 Intermediate Similarity NPC35627
0.7407 Intermediate Similarity NPC195392
0.7407 Intermediate Similarity NPC81247
0.7405 Intermediate Similarity NPC203784
0.7405 Intermediate Similarity NPC194034
0.7405 Intermediate Similarity NPC126519
0.7405 Intermediate Similarity NPC170503
0.7376 Intermediate Similarity NPC217277
0.7368 Intermediate Similarity NPC294249
0.7357 Intermediate Similarity NPC290451
0.7357 Intermediate Similarity NPC127389
0.7349 Intermediate Similarity NPC329969
0.7338 Intermediate Similarity NPC321133
0.7333 Intermediate Similarity NPC477837
0.7333 Intermediate Similarity NPC477838
0.7324 Intermediate Similarity NPC293701
0.7324 Intermediate Similarity NPC114901
0.7324 Intermediate Similarity NPC109822
0.7324 Intermediate Similarity NPC48990
0.7324 Intermediate Similarity NPC94276
0.7313 Intermediate Similarity NPC21890
0.7305 Intermediate Similarity NPC188997
0.7299 Intermediate Similarity NPC290470
0.7299 Intermediate Similarity NPC154256
0.7296 Intermediate Similarity NPC160931
0.7296 Intermediate Similarity NPC37205
0.7286 Intermediate Similarity NPC473875
0.7286 Intermediate Similarity NPC212559
0.7285 Intermediate Similarity NPC323204
0.7283 Intermediate Similarity NPC475754
0.7279 Intermediate Similarity NPC160692
0.7273 Intermediate Similarity NPC194519
0.7267 Intermediate Similarity NPC158900
0.726 Intermediate Similarity NPC326599
0.726 Intermediate Similarity NPC329595
0.7254 Intermediate Similarity NPC255253
0.7254 Intermediate Similarity NPC474130
0.7254 Intermediate Similarity NPC261992
0.725 Intermediate Similarity NPC129603
0.7246 Intermediate Similarity NPC137096
0.7239 Intermediate Similarity NPC209377
0.7233 Intermediate Similarity NPC204828
0.7233 Intermediate Similarity NPC276588
0.7233 Intermediate Similarity NPC54379
0.7233 Intermediate Similarity NPC39701
0.7233 Intermediate Similarity NPC278799
0.7233 Intermediate Similarity NPC207757
0.7233 Intermediate Similarity NPC172765
0.7233 Intermediate Similarity NPC249797
0.7233 Intermediate Similarity NPC110416
0.7233 Intermediate Similarity NPC2413
0.7233 Intermediate Similarity NPC469817
0.7233 Intermediate Similarity NPC193949
0.7233 Intermediate Similarity NPC189266
0.7233 Intermediate Similarity NPC295691
0.7233 Intermediate Similarity NPC184026
0.7233 Intermediate Similarity NPC127674
0.7233 Intermediate Similarity NPC5238
0.7229 Intermediate Similarity NPC475215
0.7229 Intermediate Similarity NPC108434
0.7226 Intermediate Similarity NPC106295
0.7226 Intermediate Similarity NPC321505
0.7226 Intermediate Similarity NPC283169
0.7226 Intermediate Similarity NPC191376
0.7226 Intermediate Similarity NPC51957
0.7226 Intermediate Similarity NPC210437
0.7226 Intermediate Similarity NPC16107
0.7226 Intermediate Similarity NPC179825
0.7226 Intermediate Similarity NPC476144
0.7222 Intermediate Similarity NPC191037
0.7222 Intermediate Similarity NPC58607
0.7222 Intermediate Similarity NPC178284
0.7219 Intermediate Similarity NPC314682
0.7219 Intermediate Similarity NPC83289
0.7219 Intermediate Similarity NPC189724
0.7219 Intermediate Similarity NPC212850
0.7215 Intermediate Similarity NPC206372
0.7215 Intermediate Similarity NPC114124
0.7215 Intermediate Similarity NPC203424
0.7214 Intermediate Similarity NPC263835
0.7211 Intermediate Similarity NPC118419
0.7211 Intermediate Similarity NPC284232
0.7208 Intermediate Similarity NPC185838
0.7205 Intermediate Similarity NPC7393
0.7203 Intermediate Similarity NPC61685
0.72 Intermediate Similarity NPC193528
0.72 Intermediate Similarity NPC14600
0.72 Intermediate Similarity NPC41473
0.72 Intermediate Similarity NPC204848
0.72 Intermediate Similarity NPC160607
0.72 Intermediate Similarity NPC312770
0.7195 Intermediate Similarity NPC56887
0.7195 Intermediate Similarity NPC124657
0.7195 Intermediate Similarity NPC223077
0.7195 Intermediate Similarity NPC193853
0.7194 Intermediate Similarity NPC474040
0.7194 Intermediate Similarity NPC474214
0.7194 Intermediate Similarity NPC283616
0.7188 Intermediate Similarity NPC180756
0.7188 Intermediate Similarity NPC323443
0.7186 Intermediate Similarity NPC66341
0.7186 Intermediate Similarity NPC192135
0.7186 Intermediate Similarity NPC477020
0.7183 Intermediate Similarity NPC46586
0.7183 Intermediate Similarity NPC204535
0.7183 Intermediate Similarity NPC152946
0.7181 Intermediate Similarity NPC141023
0.7181 Intermediate Similarity NPC478085
0.7179 Intermediate Similarity NPC476571
0.7179 Intermediate Similarity NPC24233
0.7179 Intermediate Similarity NPC147390
0.7179 Intermediate Similarity NPC7467
0.7179 Intermediate Similarity NPC428
0.7179 Intermediate Similarity NPC135538
0.7179 Intermediate Similarity NPC246587
0.7178 Intermediate Similarity NPC233650
0.7178 Intermediate Similarity NPC475393
0.7176 Intermediate Similarity NPC241224
0.7172 Intermediate Similarity NPC111247
0.7172 Intermediate Similarity NPC183181
0.7172 Intermediate Similarity NPC147821
0.7172 Intermediate Similarity NPC319625
0.7172 Intermediate Similarity NPC292056
0.7172 Intermediate Similarity NPC163332
0.7172 Intermediate Similarity NPC118787
0.7172 Intermediate Similarity NPC469386
0.7172 Intermediate Similarity NPC41706
0.7172 Intermediate Similarity NPC474119
0.7171 Intermediate Similarity NPC474915
0.7171 Intermediate Similarity NPC213206
0.7171 Intermediate Similarity NPC328750
0.7171 Intermediate Similarity NPC188163
0.717 Intermediate Similarity NPC475557
0.717 Intermediate Similarity NPC233926
0.7169 Intermediate Similarity NPC477562
0.7169 Intermediate Similarity NPC26240
0.7169 Intermediate Similarity NPC69712
0.7163 Intermediate Similarity NPC207613
0.7162 Intermediate Similarity NPC230219
0.7162 Intermediate Similarity NPC189482
0.7161 Intermediate Similarity NPC473934
0.716 Intermediate Similarity NPC18402
0.7152 Intermediate Similarity NPC210140
0.7143 Intermediate Similarity NPC78359
0.7143 Intermediate Similarity NPC186469
0.7143 Intermediate Similarity NPC315707
0.7143 Intermediate Similarity NPC163036
0.7143 Intermediate Similarity NPC148014
0.7143 Intermediate Similarity NPC40389
0.7143 Intermediate Similarity NPC256369
0.7143 Intermediate Similarity NPC11089
0.7143 Intermediate Similarity NPC143483
0.7143 Intermediate Similarity NPC474320
0.7143 Intermediate Similarity NPC65490
0.7135 Intermediate Similarity NPC476575
0.7134 Intermediate Similarity NPC169743
0.7134 Intermediate Similarity NPC134858
0.7133 Intermediate Similarity NPC140359
0.7133 Intermediate Similarity NPC13020
0.7132 Intermediate Similarity NPC165646
0.7125 Intermediate Similarity NPC150670
0.7122 Intermediate Similarity NPC120075
0.7122 Intermediate Similarity NPC86947
0.7121 Intermediate Similarity NPC470393
0.7118 Intermediate Similarity NPC267408
0.7114 Intermediate Similarity NPC263064
0.7114 Intermediate Similarity NPC475840
0.7114 Intermediate Similarity NPC26394
0.7114 Intermediate Similarity NPC138940
0.7113 Intermediate Similarity NPC343720

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC318591 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
1.0 High Similarity NPD2156 Approved
1.0 High Similarity NPD2155 Approved
1.0 High Similarity NPD2154 Approved
0.9389 High Similarity NPD3597 Clinical (unspecified phase)
0.9147 High Similarity NPD1794 Approved
0.913 High Similarity NPD2677 Approved
0.8881 High Similarity NPD3162 Approved
0.8881 High Similarity NPD3163 Approved
0.8857 High Similarity NPD5160 Discontinued
0.8855 High Similarity NPD1820 Approved
0.8855 High Similarity NPD1818 Approved
0.8855 High Similarity NPD1817 Approved
0.8855 High Similarity NPD1819 Approved
0.8806 High Similarity NPD1336 Approved
0.8731 High Similarity NPD3165 Approved
0.8731 High Similarity NPD3164 Approved
0.8731 High Similarity NPD3167 Approved
0.8731 High Similarity NPD3166 Approved
0.869 High Similarity NPD2649 Approved
0.869 High Similarity NPD2651 Approved
0.8611 High Similarity NPD2676 Approved
0.8611 High Similarity NPD2675 Approved
0.8593 High Similarity NPD3179 Approved
0.8593 High Similarity NPD3180 Approved
0.8582 High Similarity NPD4162 Approved
0.8529 High Similarity NPD3056 Clinical (unspecified phase)
0.8478 Intermediate Similarity NPD1341 Clinical (unspecified phase)
0.8472 Intermediate Similarity NPD1774 Approved
0.8467 Intermediate Similarity NPD1423 Approved
0.8451 Intermediate Similarity NPD5062 Approved
0.8451 Intermediate Similarity NPD5061 Approved
0.8397 Intermediate Similarity NPD2556 Approved
0.8397 Intermediate Similarity NPD2554 Approved
0.8345 Intermediate Similarity NPD6087 Phase 1
0.8301 Intermediate Similarity NPD4666 Phase 3
0.8286 Intermediate Similarity NPD3054 Approved
0.8286 Intermediate Similarity NPD3052 Approved
0.8252 Intermediate Similarity NPD1372 Clinical (unspecified phase)
0.8239 Intermediate Similarity NPD2240 Approved
0.8239 Intermediate Similarity NPD2239 Approved
0.8235 Intermediate Similarity NPD5709 Phase 3
0.8224 Intermediate Similarity NPD4581 Clinical (unspecified phase)
0.8201 Intermediate Similarity NPD3530 Approved
0.8201 Intermediate Similarity NPD3531 Approved
0.8201 Intermediate Similarity NPD3532 Approved
0.8182 Intermediate Similarity NPD3049 Approved
0.8163 Intermediate Similarity NPD4661 Approved
0.8163 Intermediate Similarity NPD4662 Approved
0.8117 Intermediate Similarity NPD6315 Phase 2
0.8112 Intermediate Similarity NPD3175 Clinical (unspecified phase)
0.8108 Intermediate Similarity NPD2236 Approved
0.8074 Intermediate Similarity NPD2235 Phase 2
0.8074 Intermediate Similarity NPD2231 Phase 2
0.8071 Intermediate Similarity NPD4474 Approved
0.8071 Intermediate Similarity NPD4475 Approved
0.8045 Intermediate Similarity NPD1797 Approved
0.8045 Intermediate Similarity NPD3443 Approved
0.8045 Intermediate Similarity NPD3444 Approved
0.8045 Intermediate Similarity NPD3445 Approved
0.8045 Intermediate Similarity NPD1798 Approved
0.8041 Intermediate Similarity NPD3985 Discontinued
0.8041 Intermediate Similarity NPD3536 Discontinued
0.8029 Intermediate Similarity NPD1770 Clinical (unspecified phase)
0.7987 Intermediate Similarity NPD6620 Discovery
0.7986 Intermediate Similarity NPD6032 Approved
0.7945 Intermediate Similarity NPD3060 Approved
0.7945 Intermediate Similarity NPD1416 Approved
0.7929 Intermediate Similarity NPD6179 Discontinued
0.7929 Intermediate Similarity NPD5163 Phase 2
0.7905 Intermediate Similarity NPD3122 Phase 3
0.7883 Intermediate Similarity NPD2429 Approved
0.7883 Intermediate Similarity NPD2428 Approved
0.7879 Intermediate Similarity NPD2557 Approved
0.7843 Intermediate Similarity NPD6677 Suspended
0.7838 Intermediate Similarity NPD5241 Discontinued
0.7812 Intermediate Similarity NPD5880 Clinical (unspecified phase)
0.7792 Intermediate Similarity NPD5722 Discontinued
0.7786 Intermediate Similarity NPD5266 Clinical (unspecified phase)
0.7718 Intermediate Similarity NPD3692 Discontinued
0.7714 Intermediate Similarity NPD6584 Phase 3
0.7703 Intermediate Similarity NPD4237 Approved
0.7703 Intermediate Similarity NPD4236 Phase 3
0.7697 Intermediate Similarity NPD2901 Approved
0.7697 Intermediate Similarity NPD5976 Discontinued
0.7697 Intermediate Similarity NPD2900 Approved
0.7697 Intermediate Similarity NPD6030 Approved
0.7697 Intermediate Similarity NPD6031 Approved
0.7687 Intermediate Similarity NPD3596 Phase 2
0.7681 Intermediate Similarity NPD2233 Approved
0.7681 Intermediate Similarity NPD2230 Approved
0.7681 Intermediate Similarity NPD2232 Approved
0.7669 Intermediate Similarity NPD595 Approved
0.7669 Intermediate Similarity NPD593 Approved
0.766 Intermediate Similarity NPD2250 Discontinued
0.7654 Intermediate Similarity NPD2163 Approved
0.764 Intermediate Similarity NPD4575 Clinical (unspecified phase)
0.7635 Intermediate Similarity NPD2897 Discontinued
0.7632 Intermediate Similarity NPD3647 Clinical (unspecified phase)
0.7628 Intermediate Similarity NPD3465 Clinical (unspecified phase)
0.7628 Intermediate Similarity NPD2977 Approved
0.7628 Intermediate Similarity NPD2978 Approved
0.7612 Intermediate Similarity NPD709 Approved
0.7607 Intermediate Similarity NPD42 Phase 2
0.7607 Intermediate Similarity NPD3933 Discontinued
0.7607 Intermediate Similarity NPD6042 Phase 2
0.7607 Intermediate Similarity NPD5096 Phase 3
0.7607 Intermediate Similarity NPD5095 Phase 3
0.7606 Intermediate Similarity NPD596 Approved
0.7606 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7606 Intermediate Similarity NPD600 Approved
0.7594 Intermediate Similarity NPD592 Approved
0.7594 Intermediate Similarity NPD594 Approved
0.7593 Intermediate Similarity NPD5938 Phase 3
0.7584 Intermediate Similarity NPD2460 Phase 3
0.7584 Intermediate Similarity NPD2458 Approved
0.7584 Intermediate Similarity NPD2459 Approved
0.7584 Intermediate Similarity NPD2976 Clinical (unspecified phase)
0.7568 Intermediate Similarity NPD5865 Clinical (unspecified phase)
0.7566 Intermediate Similarity NPD6419 Discontinued
0.7566 Intermediate Similarity NPD1754 Clinical (unspecified phase)
0.7564 Intermediate Similarity NPD4018 Clinical (unspecified phase)
0.7554 Intermediate Similarity NPD2561 Approved
0.7554 Intermediate Similarity NPD2562 Approved
0.7551 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.7551 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.7517 Intermediate Similarity NPD2238 Phase 2
0.7517 Intermediate Similarity NPD7037 Approved
0.7516 Intermediate Similarity NPD7527 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD7526 Approved
0.7516 Intermediate Similarity NPD6090 Discontinued
0.7516 Intermediate Similarity NPD52 Approved
0.7516 Intermediate Similarity NPD5261 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1102 Approved
0.75 Intermediate Similarity NPD6582 Phase 2
0.75 Intermediate Similarity NPD1103 Approved
0.75 Intermediate Similarity NPD6583 Phase 3
0.75 Intermediate Similarity NPD6812 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6072 Discontinued
0.7465 Intermediate Similarity NPD558 Phase 2
0.7448 Intermediate Similarity NPD2245 Discovery
0.7445 Intermediate Similarity NPD6580 Approved
0.7445 Intermediate Similarity NPD6581 Approved
0.7445 Intermediate Similarity NPD2486 Discontinued
0.7419 Intermediate Similarity NPD3686 Approved
0.7419 Intermediate Similarity NPD3687 Approved
0.7417 Intermediate Similarity NPD3977 Clinical (unspecified phase)
0.7415 Intermediate Similarity NPD4579 Clinical (unspecified phase)
0.7413 Intermediate Similarity NPD1712 Approved
0.7413 Intermediate Similarity NPD2407 Clinical (unspecified phase)
0.7405 Intermediate Similarity NPD290 Approved
0.7397 Intermediate Similarity NPD5837 Clinical (unspecified phase)
0.7394 Intermediate Similarity NPD4098 Discontinued
0.7391 Intermediate Similarity NPD2594 Approved
0.7391 Intermediate Similarity NPD2595 Approved
0.7391 Intermediate Similarity NPD6830 Clinical (unspecified phase)
0.7383 Intermediate Similarity NPD3156 Discontinued
0.7383 Intermediate Similarity NPD4476 Approved
0.7383 Intermediate Similarity NPD4477 Approved
0.7379 Intermediate Similarity NPD3374 Clinical (unspecified phase)
0.7376 Intermediate Similarity NPD1669 Approved
0.7365 Intermediate Similarity NPD5689 Approved
0.7365 Intermediate Similarity NPD5688 Approved
0.7355 Intermediate Similarity NPD3033 Phase 2
0.7351 Intermediate Similarity NPD5177 Phase 3
0.7348 Intermediate Similarity NPD2684 Approved
0.7343 Intermediate Similarity NPD3690 Phase 2
0.7343 Intermediate Similarity NPD3691 Phase 2
0.7338 Intermediate Similarity NPD2505 Approved
0.7338 Intermediate Similarity NPD2423 Clinical (unspecified phase)
0.7338 Intermediate Similarity NPD2667 Approved
0.7338 Intermediate Similarity NPD2504 Approved
0.7338 Intermediate Similarity NPD2668 Approved
0.7338 Intermediate Similarity NPD2874 Phase 2
0.7333 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD6407 Approved
0.7329 Intermediate Similarity NPD6405 Approved
0.732 Intermediate Similarity NPD6666 Approved
0.732 Intermediate Similarity NPD6667 Approved
0.7319 Intermediate Similarity NPD316 Approved
0.7315 Intermediate Similarity NPD2661 Clinical (unspecified phase)
0.7315 Intermediate Similarity NPD1753 Discontinued
0.7312 Intermediate Similarity NPD3075 Approved
0.731 Intermediate Similarity NPD1024 Discontinued
0.7301 Intermediate Similarity NPD3051 Approved
0.7297 Intermediate Similarity NPD2568 Approved
0.7297 Intermediate Similarity NPD2989 Phase 2
0.7297 Intermediate Similarity NPD2986 Phase 2
0.7292 Intermediate Similarity NPD2237 Approved
0.729 Intermediate Similarity NPD1975 Clinical (unspecified phase)
0.7286 Intermediate Similarity NPD3294 Phase 2
0.7285 Intermediate Similarity NPD1391 Approved
0.7279 Intermediate Similarity NPD3061 Approved
0.7279 Intermediate Similarity NPD4060 Phase 1
0.7279 Intermediate Similarity NPD3059 Approved
0.7279 Intermediate Similarity NPD3062 Approved
0.7278 Intermediate Similarity NPD4773 Phase 2
0.7278 Intermediate Similarity NPD4772 Phase 2
0.7273 Intermediate Similarity NPD3053 Approved
0.7273 Intermediate Similarity NPD3055 Approved
0.7267 Intermediate Similarity NPD8070 Approved

Structure

External Identifiers

PubChem CID   4946
ChEMBL   CHEMBL27
ZINC  

Physicochemical Properties

Molecular Weight:  259.16
ALogP:  -1.0098
MLogP:  2.89
XLogP:  4.053
# Rotatable Bonds:  9
Polar Surface Area:  41.49
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  19

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Structure MOL file  
Source Organisms  
Biological Activities  
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