Natural Product: NPC264166

Natural Product ID:  NPC264166
Common Name:   Quinidine
IUPAC Name:   (S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
Synonyms:   Quinidine
Molecular Formula:   C20H24N2O2
Standard InCHIKey:  LOUPRKONTZGTKE-LHHVKLHASA-N
Standard InCHI:  InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1
Canonical SMILES:  C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](c1ccnc2c1cc(OC)cc2)O
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
NPO25089 Cinchona calisaya Species Rubiaceae Eukaryota PMID[11992775]
NPO7944 Zanthoxylum pluviatile Species Rutaceae Eukaryota UNPD*
NPO8417 Scutellaria ikonnikovii Species Lamiaceae Eukaryota UNPD*
NPO3852 Entandrophragma angolense Species Meliaceae Eukaryota UNPD*
NPO25440 Phormium tenax Species Asphodelaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1016 Organism Canis familiaris Canis lupus familiaris ED50 = 1 mg/kg 2299628
NPT1016 Organism Canis familiaris Canis lupus familiaris ED50 = 10 mg/kg 2299628
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 160 nM 11992775
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 4 nM 11992775
NPT32 Organism Mus musculus Mus musculus LD50 = 53.6 mg/kg 6147415
NPT32 Organism Mus musculus Mus musculus LD50 = 524 umol/kg 7359535
NPT32 Organism Mus musculus Mus musculus ED50 = 122 umol/kg 7359535
NPT32 Organism Mus musculus Mus musculus Ratio = 4.3 7359535
NPT938 Organism Cavia porcellus Cavia porcellus Activity = 1.15 7359531
NPT212 Individual Protein Cytochrome P450 2C9 Homo sapiens Ki = 32000 nM 14761192
NPT1774 Protein Family Sodium channel alpha subunits; brain (Types I, II, III) Homo sapiens IC50 = 3200 nM 2579237
NPT1774 Protein Family Sodium channel alpha subunits; brain (Types I, II, III) Homo sapiens Inhibition = 74.1 % 2579237
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens Ki = 80 nM 8487254
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens Ki = 40 nM 8487254
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens Ki = 43 nM 8487254
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens Ki = 60 nM 8487254
NPT938 Organism Cavia porcellus Cavia porcellus EC30 = 7.2 ug/ml 7452671
NPT938 Organism Cavia porcellus Cavia porcellus EC30 = 62 ug/ml 7452671
NPT938 Organism Cavia porcellus Cavia porcellus EC30 = 6.5 ug/ml 7452671
NPT2 Others Unspecified Ratio = 8.6 7452671
NPT2 Others Unspecified Ratio = 0.9 7452671
NPT2859 Individual Protein Cytochrome P450 2D1 Rattus norvegicus IC50 = 19900 nM 12502361
NPT2860 Individual Protein Cytochrome P450 2D2 Rattus norvegicus IC50 = 2800 nM 12502361
NPT2861 Individual Protein Cytochrome P450 2D3 Rattus norvegicus IC50 = 26900 nM 12502361
NPT2862 Individual Protein Cytochrome P450 2D18 Rattus norvegicus IC50 = 47200 nM 12502361
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens IC50 = 3.3 nM 12502361
NPT938 Organism Cavia porcellus Cavia porcellus Inhibition = 62 % 6384519
NPT938 Organism Cavia porcellus Cavia porcellus Kd = 1000 nM 6384519
NPT5601 Individual Protein Sodium channel protein type V alpha subunit Rattus norvegicus Inhibition = 68 % 8230126
NPT2 Others Unspecified Inhibition = 40 % 8230126
NPT938 Organism Cavia porcellus Cavia porcellus ED20 = 7.2 mg/kg 8230126
NPT938 Organism Cavia porcellus Cavia porcellus Inhibition = 62 % 3973901
NPT32 Organism Mus musculus Mus musculus LD50 = 89 mg/kg 7205883
NPT98 Individual Protein HERG Homo sapiens IC50 = 323.59 nM 12873512
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens IC50 > 50000 nM 12699389
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens Activity = 20 nM/mg*min 12699389
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens Inhibition = 36 % 12699389
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens IC50 = 2200 nM 12699389
NPT1455 Individual Protein P-glycoprotein 3 Mus musculus IC50 = 13000 nM 12699389
NPT1456 Individual Protein P-glycoprotein 1 Mus musculus IC50 = 10000 nM 12699389
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens IC50 = 5600 nM 12699389
NPT32 Organism Mus musculus Mus musculus LD50 = 175 mg/kg 3572966
NPT29 Organism Rattus norvegicus Rattus norvegicus LD50 = 48 mg/kg 3572966
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 4.7 mg/kg 3572966
NPT419 Organism Oryctolagus cuniculus Oryctolagus cuniculus EC30 = 3.9 ug/ml 3572966
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 13.5 mg/kg 3572966
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 3.2 mg/kg 3572966
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 47.7 mg/kg 3572966
NPT1016 Organism Canis familiaris Canis lupus familiaris ED50 = 1 mg/kg 3572966
NPT1016 Organism Canis familiaris Canis lupus familiaris ED50 = 5.5 mg/kg 3572966
NPT32 Organism Mus musculus Mus musculus ED50 = 15.2 mg/kg 3572966
NPT32 Organism Mus musculus Mus musculus ED50 = 14 mg/kg 3572966
NPT32 Organism Mus musculus Mus musculus ED50 = 122 mg/kg 3572966
NPT32 Organism Mus musculus Mus musculus ED50 = 158 mg/kg 3572966
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = -30 % 3572966
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = -36 % 3572966
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 3 % 3572966
NPT32 Organism Mus musculus Mus musculus EC50 = 0.0098 ug/ml 3572966
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens Ki = 2600 nM 12477351
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens IC50 = 340000 nM 12477351
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens Ki = 5000 nM 12477351
NPT2 Others Unspecified IC50 = 240000 nM 15225721
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens IC50 = 10 nM 15481972
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens Ki = 30 nM 15481972
NPT98 Individual Protein HERG Homo sapiens IC50 = 323.59 nM 15911273
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens IC50 = 20 nM 16570918
NPT2 Others Unspecified Activity = 69 % 17228875
NPT2 Others Unspecified Activity = 71 % 17228875
NPT2744 Tissue Aorta Cavia porcellus Inhibition = 30 % 17228875
NPT2 Others Unspecified Activity = 86 % 17228875
NPT3707 Tissue Heart Cavia porcellus Activity = 160 17228875
NPT3707 Tissue Heart Cavia porcellus Activity = 153 17228875
NPT3707 Tissue Heart Cavia porcellus Activity = 140 17228875
NPT3707 Tissue Heart Cavia porcellus Activity = 123 17228875
NPT3707 Tissue Heart Cavia porcellus Activity = 107 17228875
NPT3707 Tissue Heart Cavia porcellus Activity = 53 ms 17228875
NPT3707 Tissue Heart Cavia porcellus Activity = 25 ms 17228875
NPT3707 Tissue Heart Cavia porcellus Activity = 54 ms 17228875
NPT3707 Tissue Heart Cavia porcellus Activity = 27 ms 17228875
NPT3707 Tissue Heart Cavia porcellus Activity = 170 ms 17228875
NPT3707 Tissue Heart Cavia porcellus Activity = 57 ms 17228875
NPT3707 Tissue Heart Cavia porcellus Activity = 31 ms 17228875
NPT3707 Tissue Heart Cavia porcellus Activity = 60 ms 17228875
NPT3707 Tissue Heart Cavia porcellus Activity = 35 ms 17228875
NPT3707 Tissue Heart Cavia porcellus Activity = 200 ms 17228875
NPT3707 Tissue Heart Cavia porcellus Activity = 70 ms 17228875
NPT3707 Tissue Heart Cavia porcellus Activity = 39 ms 17228875
NPT3707 Tissue Heart Cavia porcellus Activity = 229 ms 17228875
NPT3707 Tissue Heart Cavia porcellus Activity = 158 ms 17228875
NPT3707 Tissue Heart Cavia porcellus Activity = 182 ms 17228875
NPT2 Others Unspecified EC50 = 10260 nM 17228875
NPT2 Others Unspecified EC50 = 3380 nM 17228875
NPT2 Others Unspecified EC50 = 3990 nM 17228875
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens IC50 = 410 nM 17249648
NPT2249 Individual Protein Histidine-rich protein Plasmodium falciparum IC50 = 325000 nM 17088494
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 2.3 micromol/kg/min 17506538
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 317 umol/kg 17506538
NPT32 Organism Mus musculus Mus musculus LD50 = 100 umol/kg 17506538
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 4 micromol/kg/min 17506538
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 3 micromol/kg/min 17506538
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 1.5 micromol/kg/min 17506538
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 2.5 micromol/kg/min 17506538
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 1.1 micromol/kg/min 17506538
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 3.2 micromol/kg/min 17506538
NPT2856 Individual Protein Sodium channel protein type V alpha subunit Homo sapiens IC50 = 6900 nM 17506538
NPT3839 Individual Protein Voltage-gated potassium channel subunit Kv1.5 Homo sapiens IC50 = 7300 nM 17506538
NPT5602 Individual Protein Potassium voltage-gated channel subfamily D member 2 Rattus norvegicus IC50 = 2200 nM 17506538
NPT3035 Cell Line ScN2a Mus musculus IC50 = 5000 nM 17850126
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens IC50 = 11 nM 18324762
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens IC50 = 14 nM 18672861
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens IC50 = 78 nM 15270556
NPT612 Individual Protein Canalicular multispecific organic anion transporter 1 Homo sapiens Activity = 64 % 18457386
NPT98 Individual Protein HERG Homo sapiens IC50 = 323.59 nM 18448342
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens IC50 = 14 nM 18763754
NPT613 Individual Protein Solute carrier family 22 member 1 Homo sapiens IC50 = 113800 nM 18788725
NPT613 Individual Protein Solute carrier family 22 member 1 Homo sapiens Inhibition = 62.9 % 18788725
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens Inhibition = 90 % 19326942
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens IC50 = 19.6 nM 19117415
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens Ki = 9.8 nM 19117415
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens Activity = 0 % 17132069
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens IC50 = 82 nM 15679319
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens IC50 = 14000 nM 19049427
NPT938 Organism Cavia porcellus Cavia porcellus EC50 = 8.34 umol/kg 18262683
NPT938 Organism Cavia porcellus Cavia porcellus EC50 = 2818382.93 nM 18262683
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 51 nM 18395298
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Inhibition = 98 % 20485427
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Inhibition = 0 % 20485427
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Inhibition = 95 % 20485427
NPT65 Cell Line HepG2 Homo sapiens Inhibition = 0 % 20485427
NPT6 Organism Plasmodium falciparum Plasmodium falciparum EC50 = 35.2 nM 18579783
NPT6 Organism Plasmodium falciparum Plasmodium falciparum EC50 = 9.59 nM 18579783
NPT1229 Cell Line Huh-7 Homo sapiens CC50 = 50750 nM 18579783
NPT605 Organism Homo sapiens Homo sapiens Activity = 0.81 % 20022146
NPT2 Others Unspecified EC50 = 3380 nM 20509610
NPT2 Others Unspecified EC50 = 3990 nM 20509610
NPT2744 Tissue Aorta Cavia porcellus Inhibition = 30 % 20509610
NPT2 Others Unspecified Activity = 182 % 20509610
NPT2 Others Unspecified Activity = 200 % 20509610
NPT2 Others Unspecified Activity = 229 % 20509610
NPT2 Others Unspecified Activity = 170 % 20509610
NPT2 Others Unspecified Activity = 158 % 20509610
NPT2 Others Unspecified Activity = 39 % 20509610
NPT2 Others Unspecified Activity = 35 % 20509610
NPT2 Others Unspecified Activity = 31 % 20509610
NPT2 Others Unspecified Activity = 27 % 20509610
NPT2 Others Unspecified Activity = 25 % 20509610
NPT2 Others Unspecified Activity = 70 % 20509610
NPT2 Others Unspecified Activity = 60 % 20509610
NPT2 Others Unspecified Activity = 57 % 20509610
NPT2 Others Unspecified Activity = 54 % 20509610
NPT2 Others Unspecified Activity = 53 % 20509610
NPT3707 Tissue Heart Cavia porcellus Activity = 107 % 20509610
NPT3707 Tissue Heart Cavia porcellus Activity = 123 % 20509610
NPT3707 Tissue Heart Cavia porcellus Activity = 140 % 20509610
NPT3707 Tissue Heart Cavia porcellus Activity = 153 % 20509610
NPT3707 Tissue Heart Cavia porcellus Activity = 160 % 20509610
NPT2 Others Unspecified Activity = 69 % 20509610
NPT2 Others Unspecified EC50 = 10260 nM 20509610
NPT2 Others Unspecified Activity = 71 % 20509610
NPT2 Others Unspecified Activity = 86 % 20509610
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 24000 nM 20185316
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae IZ = 8 mm 20739103
NPT210 Individual Protein Thyroid stimulating hormone receptor Homo sapiens Potency = 25118.9 nM PubChem BioAssay data set
NPT50 Individual Protein Tyrosyl-DNA phosphodiesterase 1 Homo sapiens Potency = 31.6 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 12589.3 nM PubChem BioAssay data set
NPT56 Individual Protein Beta-lactamase AmpC Escherichia coli K-12 Potency = 8912.5 nM PubChem BioAssay data set
NPT347 Cell Line Lymphoblastoid cells Homo sapiens Potency = 63095.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 12589.3 nM PubChem BioAssay data set
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens IC50 = 10 nM 21189020
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens IC50 = 10 nM 21138310
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens IC50 = 14 nM 21384875
NPT98 Individual Protein HERG Homo sapiens Inhibition = 85.5 % 21752640
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 20.8 nM PubChem BioAssay data set
NPT98 Individual Protein HERG Homo sapiens Potency 7943.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1258.9 nM PubChem BioAssay data set
NPT99 Individual Protein Peroxisome proliferator-activated receptor gamma Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 29.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 35.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 25.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Activity = 86 % 22191686
NPT2 Others Unspecified EC50 = 10260 nM 22191686
NPT2 Others Unspecified Activity = 71 % 22191686
NPT2 Others Unspecified EC50 = 3380 nM 22191686
NPT2 Others Unspecified EC30 = 3.99 nM 22191686
NPT2744 Tissue Aorta Cavia porcellus Activity = 30 % 22191686
NPT2 Others Unspecified IC50 = 130000 nM 22512909
NPT2 Others Unspecified IC50 = 23000 nM 22512909
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 18 nM 22512909
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 90 nM 22512909
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens Inhibition = 21.1 % 24900460
NPT2794 Individual Protein Quinolone resistance protein norA Staphylococcus aureus Inhibition = 31.5 % 24900460
NPT213 Individual Protein Cytochrome P450 2C19 Homo sapiens Ratio IC50 = 2 22931300
NPT434 Individual Protein Solute carrier family 22 member 5 Mus musculus Activity = 6.1 % 11160873
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Activity = 81 % 12906759
NPT705 Individual Protein Solute carrier family 22 member 5 Homo sapiens Activity = 9.1 % 10525100
NPT4360 Individual Protein Solute carrier family 22 member 1 Mus musculus Activity = 0 % 11060354
NPT1543 Individual Protein Solute carrier family 22 member 4 Homo sapiens Activity = 15.2 % 10215651
NPT613 Individual Protein Solute carrier family 22 member 1 Homo sapiens Activity = 20 % 15716364
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens Activity = 36 % 12699389
NPT1733 Individual Protein Solute carrier organic anion transporter family member 1A2 Homo sapiens Activity = 91 % 10421612
NPT613 Individual Protein Solute carrier family 22 member 1 Homo sapiens Activity = 5.4 nM 12606755
NPT435 Individual Protein Solute carrier family 22 member 1 Rattus norvegicus IC50 = 12700 nM 11502595
NPT1544 Individual Protein Solute carrier family 22 member 2 Rattus norvegicus IC50 = 14600 nM 11502595
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens IC50 = 18800 nM 11716514
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens IC50 = 1000 nM 11716514
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens IC50 = 2200 nM 10820137
NPT613 Individual Protein Solute carrier family 22 member 1 Homo sapiens IC50 = 23400 nM 10027858
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens IC50 = 33800 nM 12649369
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens IC50 = 33900 nM 11716514
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens Ki = 430 nM 12636153
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens Ki = 1500 nM 11405287
NPT305 Individual Protein Solute carrier organic anion transporter family member 1A4 Rattus norvegicus Ki = 120000 nM 11883641
NPT435 Individual Protein Solute carrier family 22 member 1 Rattus norvegicus Ki = 14600 nM 9808712
NPT613 Individual Protein Solute carrier family 22 member 1 Homo sapiens Ki = 17500 nM 9655880
NPT1544 Individual Protein Solute carrier family 22 member 2 Rattus norvegicus Ki = 19100 nM 9808712
NPT435 Individual Protein Solute carrier family 22 member 1 Rattus norvegicus Ki = 6000 nM 8878062
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens Ki = 8590 nM 12134945
NPT752 Individual Protein Solute carrier organic anion transporter family member 1A1 Rattus norvegicus Ki = 9270 nM 11883641
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 14960.1 nM PubChem BioAssay data set
NPT478 Individual Protein Ataxin-2 Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT101 Individual Protein Glucagon-like peptide 1 receptor Homo sapiens Potency 17782.8 nM PubChem BioAssay data set
NPT622 Individual Protein Solute carrier organic anion transporter family member 2B1 Homo sapiens Inhibition = -10 % 22541068
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 37.2 % 22541068
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 43.3 % 22541068
NPT439 Individual Protein Butyrylcholinesterase Homo sapiens IC50 = 1230 nM 23062825
NPT67 Individual Protein Cholinesterase Equus caballus IC50 = 7370 nM 23062825
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 51 nM 10.1007/s00044-007-9025-8
NPT757 Organism Plasmodium falciparum 3D7 Plasmodium falciparum 3D7 IC50 = 21 nM 10.1007/s00044-007-9025-8
NPT2 Others Unspecified IC50 = 24000 nM 10.1007/s00044-007-9025-8
NPT992 Organism Entamoeba histolytica Entamoeba histolytica IC50 = 16.6 ug/ml 10.1007/s00044-011-9767-1
NPT4037 Individual Protein Multidrug and toxin extrusion protein 1 Homo sapiens Inhibition = 28 % 23241029
NPT4037 Individual Protein Multidrug and toxin extrusion protein 1 Homo sapiens IC50 = 11200 nM 23241029
NPT857 Cell Line LLC-PK1 Sus scrofa Ratio = 7.4 24900570
NPT2 Others Unspecified Potency 23109.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 12995.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Ratio IC50 = 1.3 23816880
NPT471 Organism Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 = 8.42 ug/ml 23816880
NPT1374 Cell Line WI-38 Homo sapiens IC50 = 11.28 ug/ml 23816880
NPT2 Others Unspecified Ratio IC50 = 179.1 23816880
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 0.06 ug/ml 23816880
NPT3694 Organism Leishmania mexicana mexicana Leishmania mexicana mexicana IC50 > 20 ug/ml 23816880
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens IC50 = 2 nM 24050112
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Inhibition = 36 % 24079662
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens Inhibition = 90 % 24079662
NPT208 Individual Protein Cytochrome P450 1A2 Homo sapiens Inhibition = 23 % 24079662
NPT212 Individual Protein Cytochrome P450 2C9 Homo sapiens Inhibition = 9 % 24079662
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens Inhibition = 95.07 % 24900814
NPT2 Others Unspecified Potency 31622.8 nM PubChem BioAssay data set
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 50.6 min 24637077
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 51.6 min 24637077
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 52.9 min 24637077
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 54.4 min 24637077
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 54.6 min 24637077
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 20.3 min 24637077
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 24.2 min 24637077
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 26.1 min 24637077
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 27.6 min 24637077
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 28.2 min 24637077
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 76.3 min 24637077
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 85.8 min 24637077
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 88.3 min 24637077
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 91.3 min 24637077
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 90.6 min 24637077
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 311.8 bpm 24637077
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 285.16 bpm 24637077
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 246.18 bpm 24637077
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 261.63 bpm 24637077
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 286.32 bpm 24637077
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 25 % 845875
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 46 % 845875
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 89 % 845875
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 21 bpm 845875
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 24 bpm 845875
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 31 bpm 845875
NPT3707 Tissue Heart Cavia porcellus Activity = -36.3 % 1255662
NPT3707 Tissue Heart Cavia porcellus Activity = -22.8 % 1255662
NPT3707 Tissue Heart Cavia porcellus Activity = -13.3 % 1255662
NPT3707 Tissue Heart Cavia porcellus Activity = -36.1 % 1255662
NPT3707 Tissue Heart Cavia porcellus Activity = -28.6 % 1255662
NPT3707 Tissue Heart Cavia porcellus Activity = -18.8 % 1255662
NPT32 Organism Mus musculus Mus musculus ED50 = 0.16 uM/ml 1255662
NPT32 Organism Mus musculus Mus musculus LD50 = 0.533 uM/ml 1255662
NPT32 Organism Mus musculus Mus musculus Ratio LD50/ED50 = 3.3 1255662
NPT32 Organism Mus musculus Mus musculus ED50 = 217 umol/kg 874956
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens IC50 = 17 nM 24793360
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens IC50 = 25000 nM 24974340
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens Inhibition = 21.2 % 24974340
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens IC50 < 6 nM 25082126
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens IC50 = 25100 nM 25221656
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens IC50 = 120 nM 25300820
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens Inhibition = 88 % 25244572
NPT98 Individual Protein HERG Homo sapiens Inhibition = 100 % 25654185
NPT2856 Individual Protein Sodium channel protein type V alpha subunit Homo sapiens IC50 = 16600 nM 21300721
NPT1305 Individual Protein Voltage-dependent L-type calcium channel subunit alpha-1C Cavia porcellus IC50 = 15600 nM 21300721
NPT98 Individual Protein HERG Homo sapiens IC50 = 300 nM 21300721
NPT1305 Individual Protein Voltage-dependent L-type calcium channel subunit alpha-1C Cavia porcellus IC50 = 15600 nM 22761000
NPT2691 Individual Protein Voltage-gated L-type calcium channel alpha-1C subunit Homo sapiens IC50 = 19820 nM 22761000
NPT2719 Individual Protein Voltage-gated L-type calcium channel alpha-1C subunit Rattus norvegicus IC50 = 10000 nM 22761000
NPT2 Others Unspecified IC50 = 6400 nM 23812503
NPT2 Others Unspecified Ratio = 0.05 22899853
NPT2 Others Unspecified Ratio = 0.22 22899853
NPT317 Uncleic Acid Nucleic Acid Ratio = 0.23 22899853
NPT1543 Individual Protein Solute carrier family 22 member 4 Homo sapiens Inhibition = 83.9 % 23073734
NPT705 Individual Protein Solute carrier family 22 member 5 Homo sapiens Inhibition = 89.9 % 23073734
NPT2 Others Unspecified IC50 = 34810 nM 26063305
NPT471 Organism Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 = 25990 nM 26063305
NPT2 Others Unspecified Ratio IC50 = 1.3 26063305
NPT757 Organism Plasmodium falciparum 3D7 Plasmodium falciparum 3D7 IC50 = 194.4 nM 26063305
NPT2 Others Unspecified Ratio IC50 = 179.1 26063305
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens Inhibition = 96.25 % 26096679
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens IC50 = 18 nM 26204510
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens IC50 = 30 nM 26355532
NPT2719 Individual Protein Voltage-gated L-type calcium channel alpha-1C subunit Rattus norvegicus IC50 = 5600 nM
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens Ratio = 7.81 26741854
NPT616 Cell Line MDCK Canis lupus familiaris Ratio = 2.34 26741854
NPT98 Individual Protein HERG Homo sapiens IC50 = 2670 nM 26640981
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens IC50 = 17 nM 27105029
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens Inhibition = 96.25 % 27229618
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens IC50 = 9 nM 26962886
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens Inhibition = 93 % 27050842
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens IC50 = 60 nM 27145071

  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 NPC264166 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 NPC329708
1.0 High Similarity NPC47059
1.0 High Similarity NPC118832
1.0 High Similarity NPC274291
1.0 High Similarity NPC165349
0.8808 High Similarity NPC472111
0.8674 High Similarity NPC203754
0.8674 High Similarity NPC150048
0.82 Intermediate Similarity NPC193238
0.8154 Intermediate Similarity NPC251090
0.8144 Intermediate Similarity NPC307963
0.8119 Intermediate Similarity NPC469589
0.8081 Intermediate Similarity NPC249040
0.805 Intermediate Similarity NPC475774
0.8041 Intermediate Similarity NPC92111
0.803 Intermediate Similarity NPC4071
0.803 Intermediate Similarity NPC476582
0.803 Intermediate Similarity NPC476578
0.8009 Intermediate Similarity NPC295228
0.8 Intermediate Similarity NPC202605
0.8 Intermediate Similarity NPC112206
0.799 Intermediate Similarity NPC76748
0.797 Intermediate Similarity NPC475841
0.797 Intermediate Similarity NPC474145
0.7938 Intermediate Similarity NPC296527
0.7921 Intermediate Similarity NPC476581
0.7921 Intermediate Similarity NPC36229
0.7921 Intermediate Similarity NPC16452
0.7906 Intermediate Similarity NPC219963
0.79 Intermediate Similarity NPC329793
0.7895 Intermediate Similarity NPC469594
0.7892 Intermediate Similarity NPC477111
0.7874 Intermediate Similarity NPC471080
0.7874 Intermediate Similarity NPC469592
0.783 Intermediate Similarity NPC280272
0.7826 Intermediate Similarity NPC26679
0.7819 Intermediate Similarity NPC252590
0.7817 Intermediate Similarity NPC133140
0.7817 Intermediate Similarity NPC195268
0.7816 Intermediate Similarity NPC5145
0.7811 Intermediate Similarity NPC315957
0.7811 Intermediate Similarity NPC176538
0.7805 Intermediate Similarity NPC82548
0.7799 Intermediate Similarity NPC470799
0.7799 Intermediate Similarity NPC8022
0.7799 Intermediate Similarity NPC477110
0.7789 Intermediate Similarity NPC473053
0.7788 Intermediate Similarity NPC469554
0.7788 Intermediate Similarity NPC266931
0.7784 Intermediate Similarity NPC177404
0.7778 Intermediate Similarity NPC289786
0.7778 Intermediate Similarity NPC226202
0.7772 Intermediate Similarity NPC31930
0.7766 Intermediate Similarity NPC473764
0.7766 Intermediate Similarity NPC314940
0.7762 Intermediate Similarity NPC476041
0.7762 Intermediate Similarity NPC304926
0.7761 Intermediate Similarity NPC287437
0.7756 Intermediate Similarity NPC313189
0.775 Intermediate Similarity NPC267928
0.775 Intermediate Similarity NPC224928
0.7744 Intermediate Similarity NPC171171
0.774 Intermediate Similarity NPC472098
0.772 Intermediate Similarity NPC161887
0.772 Intermediate Similarity NPC266551
0.7718 Intermediate Similarity NPC475910
0.7707 Intermediate Similarity NPC477113
0.7706 Intermediate Similarity NPC101543
0.7704 Intermediate Similarity NPC66083
0.7692 Intermediate Similarity NPC314002
0.7692 Intermediate Similarity NPC208284
0.7689 Intermediate Similarity NPC213530
0.7689 Intermediate Similarity NPC193267
0.7688 Intermediate Similarity NPC124542
0.7688 Intermediate Similarity NPC471177
0.7688 Intermediate Similarity NPC59779
0.7681 Intermediate Similarity NPC185782
0.7671 Intermediate Similarity NPC255800
0.7671 Intermediate Similarity NPC96584
0.7661 Intermediate Similarity NPC201508
0.7659 Intermediate Similarity NPC470500
0.7659 Intermediate Similarity NPC475070
0.7656 Intermediate Similarity NPC296482
0.7656 Intermediate Similarity NPC202768
0.7656 Intermediate Similarity NPC53069
0.7653 Intermediate Similarity NPC472099
0.765 Intermediate Similarity NPC26872
0.7647 Intermediate Similarity NPC118511
0.7644 Intermediate Similarity NPC312872
0.7644 Intermediate Similarity NPC290689
0.7642 Intermediate Similarity NPC173080
0.7641 Intermediate Similarity NPC204717
0.7638 Intermediate Similarity NPC99666
0.7635 Intermediate Similarity NPC234197
0.7623 Intermediate Similarity NPC81175
0.7622 Intermediate Similarity NPC26850
0.7621 Intermediate Similarity NPC323345
0.7621 Intermediate Similarity NPC470164
0.761 Intermediate Similarity NPC245816
0.761 Intermediate Similarity NPC476138
0.7606 Intermediate Similarity NPC471178
0.759 Intermediate Similarity NPC220765
0.7585 Intermediate Similarity NPC135549
0.7581 Intermediate Similarity NPC122463
0.7573 Intermediate Similarity NPC285558
0.7571 Intermediate Similarity NPC316981
0.757 Intermediate Similarity NPC174049
0.7569 Intermediate Similarity NPC314954
0.7565 Intermediate Similarity NPC326575
0.7565 Intermediate Similarity NPC283152
0.7551 Intermediate Similarity NPC62069
0.7549 Intermediate Similarity NPC477019
0.7549 Intermediate Similarity NPC19872
0.7548 Intermediate Similarity NPC287208
0.7545 Intermediate Similarity NPC475720
0.7545 Intermediate Similarity NPC474192
0.7539 Intermediate Similarity NPC121658
0.7539 Intermediate Similarity NPC14651
0.7538 Intermediate Similarity NPC3715
0.7536 Intermediate Similarity NPC478074
0.7535 Intermediate Similarity NPC310118
0.7524 Intermediate Similarity NPC223427
0.7523 Intermediate Similarity NPC110151
0.7513 Intermediate Similarity NPC472122
0.7513 Intermediate Similarity NPC24594
0.7513 Intermediate Similarity NPC42591
0.7512 Intermediate Similarity NPC279401
0.7512 Intermediate Similarity NPC79293
0.75 Intermediate Similarity NPC176127
0.7488 Intermediate Similarity NPC96405
0.7488 Intermediate Similarity NPC132642
0.7488 Intermediate Similarity NPC171409
0.7487 Intermediate Similarity NPC187827
0.7487 Intermediate Similarity NPC476518
0.7487 Intermediate Similarity NPC472105
0.7477 Intermediate Similarity NPC473822
0.7476 Intermediate Similarity NPC123976
0.7476 Intermediate Similarity NPC471304
0.7476 Intermediate Similarity NPC211813
0.7476 Intermediate Similarity NPC167860
0.7465 Intermediate Similarity NPC288349
0.7464 Intermediate Similarity NPC476465
0.7449 Intermediate Similarity NPC470474
0.7445 Intermediate Similarity NPC472434
0.7443 Intermediate Similarity NPC6215
0.7436 Intermediate Similarity NPC133261
0.7426 Intermediate Similarity NPC329541
0.7424 Intermediate Similarity NPC62510
0.7416 Intermediate Similarity NPC53344
0.7413 Intermediate Similarity NPC469390
0.7406 Intermediate Similarity NPC264176
0.7404 Intermediate Similarity NPC164374
0.7404 Intermediate Similarity NPC137929
0.7402 Intermediate Similarity NPC77555
0.74 Intermediate Similarity NPC32771
0.7397 Intermediate Similarity NPC103687
0.7397 Intermediate Similarity NPC132631
0.7395 Intermediate Similarity NPC204446
0.7394 Intermediate Similarity NPC84508
0.7393 Intermediate Similarity NPC11464
0.7393 Intermediate Similarity NPC470020
0.7391 Intermediate Similarity NPC470678
0.7389 Intermediate Similarity NPC99891
0.7385 Intermediate Similarity NPC184964
0.7371 Intermediate Similarity NPC149471
0.7371 Intermediate Similarity NPC162530
0.7371 Intermediate Similarity NPC271215
0.7349 Intermediate Similarity NPC473513
0.7346 Intermediate Similarity NPC174672
0.7346 Intermediate Similarity NPC476116
0.7346 Intermediate Similarity NPC174758
0.7345 Intermediate Similarity NPC475816
0.7343 Intermediate Similarity NPC232727
0.7339 Intermediate Similarity NPC216612
0.7337 Intermediate Similarity NPC20249
0.7333 Intermediate Similarity NPC288943
0.7333 Intermediate Similarity NPC134586
0.733 Intermediate Similarity NPC476167
0.7324 Intermediate Similarity NPC251160
0.7323 Intermediate Similarity NPC472110
0.7323 Intermediate Similarity NPC472109
0.732 Intermediate Similarity NPC111624
0.7318 Intermediate Similarity NPC214980
0.7317 Intermediate Similarity NPC156704
0.7311 Intermediate Similarity NPC188420
0.731 Intermediate Similarity NPC222592
0.731 Intermediate Similarity NPC168486
0.73 Intermediate Similarity NPC204385
0.7296 Intermediate Similarity NPC211997
0.7295 Intermediate Similarity NPC329747
0.7295 Intermediate Similarity NPC315491
0.7295 Intermediate Similarity NPC45459
0.729 Intermediate Similarity NPC476287
0.7289 Intermediate Similarity NPC477549
0.7286 Intermediate Similarity NPC284559
0.7284 Intermediate Similarity NPC137353
0.7282 Intermediate Similarity NPC192315
0.7282 Intermediate Similarity NPC239954
0.7277 Intermediate Similarity NPC473105
0.7273 Intermediate Similarity NPC469440

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC264166 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 NPD31 Approved
1.0 High Similarity NPD4034 Approved
1.0 High Similarity NPD4037 Approved
1.0 High Similarity NPD4122 Approved
1.0 High Similarity NPD4039 Approved
1.0 High Similarity NPD4038 Approved
1.0 High Similarity NPD4035 Approved
1.0 High Similarity NPD32 Approved
1.0 High Similarity NPD4033 Approved
1.0 High Similarity NPD4036 Approved
0.8632 High Similarity NPD3478 Clinical (unspecified phase)
0.8632 High Similarity NPD3477 Phase 2
0.8474 Intermediate Similarity NPD6569 Phase 2
0.8201 Intermediate Similarity NPD5083 Clinical (unspecified phase)
0.82 Intermediate Similarity NPD7222 Phase 2
0.8144 Intermediate Similarity NPD1038 Approved
0.8098 Intermediate Similarity NPD6872 Clinical (unspecified phase)
0.8095 Intermediate Similarity NPD7414 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD4203 Approved
0.8 Intermediate Similarity NPD1856 Discontinued
0.8 Intermediate Similarity NPD4204 Approved
0.7959 Intermediate Similarity NPD1304 Clinical (unspecified phase)
0.7951 Intermediate Similarity NPD4502 Phase 2
0.7931 Intermediate Similarity NPD7453 Approved
0.7931 Intermediate Similarity NPD7452 Approved
0.7927 Intermediate Similarity NPD4375 Approved
0.7921 Intermediate Similarity NPD4795 Phase 2
0.7917 Intermediate Similarity NPD6494 Phase 2
0.7885 Intermediate Similarity NPD5612 Discontinued
0.7869 Intermediate Similarity NPD5255 Approved
0.7868 Intermediate Similarity NPD6361 Phase 2
0.7868 Intermediate Similarity NPD4551 Phase 2
0.7848 Intermediate Similarity NPD6276 Discontinued
0.7847 Intermediate Similarity NPD7823 Clinical (unspecified phase)
0.7828 Intermediate Similarity NPD6861 Clinical (unspecified phase)
0.7817 Intermediate Similarity NPD3922 Approved
0.7817 Intermediate Similarity NPD3921 Approved
0.7817 Intermediate Similarity NPD3924 Approved
0.7817 Intermediate Similarity NPD3923 Approved
0.7812 Intermediate Similarity NPD3386 Phase 2
0.7811 Intermediate Similarity NPD4396 Clinical (unspecified phase)
0.7811 Intermediate Similarity NPD1739 Approved
0.7811 Intermediate Similarity NPD1740 Approved
0.7804 Intermediate Similarity NPD7675 Phase 3
0.7804 Intermediate Similarity NPD7676 Clinical (unspecified phase)
0.7804 Intermediate Similarity NPD7674 Phase 3
0.7773 Intermediate Similarity NPD3402 Phase 1
0.7772 Intermediate Similarity NPD5522 Clinical (unspecified phase)
0.7761 Intermediate Similarity NPD4118 Clinical (unspecified phase)
0.7749 Intermediate Similarity NPD1032 Phase 2
0.7725 Intermediate Similarity NPD6568 Discontinued
0.7721 Intermediate Similarity NPD7426 Phase 1
0.7716 Intermediate Similarity NPD8063 Discontinued
0.7714 Intermediate Similarity NPD7112 Discontinued
0.7708 Intermediate Similarity NPD1620 Clinical (unspecified phase)
0.7707 Intermediate Similarity NPD5530 Phase 1
0.7704 Intermediate Similarity NPD1033 Clinical (unspecified phase)
0.7704 Intermediate Similarity NPD1034 Phase 3
0.7704 Intermediate Similarity NPD6257 Clinical (unspecified phase)
0.77 Intermediate Similarity NPD6550 Discontinued
0.7692 Intermediate Similarity NPD4889 Approved
0.7689 Intermediate Similarity NPD6500 Approved
0.7689 Intermediate Similarity NPD6501 Approved
0.7688 Intermediate Similarity NPD5575 Clinical (unspecified phase)
0.7673 Intermediate Similarity NPD2177 Approved
0.7673 Intermediate Similarity NPD2175 Phase 3
0.7673 Intermediate Similarity NPD5999 Phase 2
0.7673 Intermediate Similarity NPD2176 Approved
0.7671 Intermediate Similarity NPD7558 Phase 2
0.7667 Intermediate Similarity NPD6140 Clinical (unspecified phase)
0.7656 Intermediate Similarity NPD6159 Phase 2
0.7656 Intermediate Similarity NPD7069 Discontinued
0.7656 Intermediate Similarity NPD3815 Phase 1
0.7656 Intermediate Similarity NPD3816 Phase 1
0.765 Intermediate Similarity NPD6590 Discontinued
0.7634 Intermediate Similarity NPD9705 Discontinued
0.7634 Intermediate Similarity NPD112 Approved
0.7626 Intermediate Similarity NPD4081 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD2582 Approved
0.7622 Intermediate Similarity NPD2581 Approved
0.7608 Intermediate Similarity NPD5067 Phase 2
0.7608 Intermediate Similarity NPD5066 Phase 2
0.7604 Intermediate Similarity NPD6553 Clinical (unspecified phase)
0.7586 Intermediate Similarity NPD3825 Phase 3
0.7585 Intermediate Similarity NPD1392 Approved
0.7576 Intermediate Similarity NPD4021 Phase 2
0.7574 Intermediate Similarity NPD2952 Discontinued
0.7562 Intermediate Similarity NPD3395 Approved
0.7562 Intermediate Similarity NPD3396 Approved
0.7552 Intermediate Similarity NPD9690 Approved
0.7547 Intermediate Similarity NPD6147 Clinical (unspecified phase)
0.7545 Intermediate Similarity NPD7797 Approved
0.7545 Intermediate Similarity NPD7796 Approved
0.7538 Intermediate Similarity NPD6281 Approved
0.7536 Intermediate Similarity NPD5945 Phase 1
0.7536 Intermediate Similarity NPD5944 Phase 1
0.7525 Intermediate Similarity NPD2383 Phase 1
0.7524 Intermediate Similarity NPD6991 Approved
0.7513 Intermediate Similarity NPD2381 Approved
0.7513 Intermediate Similarity NPD2380 Approved
0.7513 Intermediate Similarity NPD2382 Approved
0.7513 Intermediate Similarity NPD6344 Clinical (unspecified phase)
0.7512 Intermediate Similarity NPD4437 Phase 3
0.7512 Intermediate Similarity NPD9695 Approved
0.7489 Intermediate Similarity NPD5559 Phase 2
0.7478 Intermediate Similarity NPD7859 Phase 2
0.7477 Intermediate Similarity NPD3354 Phase 2
0.7476 Intermediate Similarity NPD6477 Clinical (unspecified phase)
0.7476 Intermediate Similarity NPD5669 Clinical (unspecified phase)
0.7475 Intermediate Similarity NPD4919 Phase 3
0.7475 Intermediate Similarity NPD4418 Discontinued
0.7475 Intermediate Similarity NPD4921 Phase 3
0.7475 Intermediate Similarity NPD4920 Clinical (unspecified phase)
0.7467 Intermediate Similarity NPD8101 Phase 3
0.7464 Intermediate Similarity NPD2187 Approved
0.7464 Intermediate Similarity NPD2189 Approved
0.7455 Intermediate Similarity NPD7729 Clinical (unspecified phase)
0.7454 Intermediate Similarity NPD5147 Discontinued
0.7453 Intermediate Similarity NPD1322 Clinical (unspecified phase)
0.7451 Intermediate Similarity NPD7889 Clinical (unspecified phase)
0.7448 Intermediate Similarity NPD1078 Clinical (unspecified phase)
0.7441 Intermediate Similarity NPD6220 Phase 3
0.7438 Intermediate Similarity NPD5512 Phase 3
0.7435 Intermediate Similarity NPD5862 Discovery
0.7433 Intermediate Similarity NPD4671 Clinical (unspecified phase)
0.7433 Intermediate Similarity NPD4669 Clinical (unspecified phase)
0.7433 Intermediate Similarity NPD4670 Clinical (unspecified phase)
0.743 Intermediate Similarity NPD4989 Phase 2
0.7418 Intermediate Similarity NPD7538 Clinical (unspecified phase)
0.7416 Intermediate Similarity NPD5429 Discontinued
0.7407 Intermediate Similarity NPD6242 Discontinued
0.7405 Intermediate Similarity NPD6158 Phase 2
0.7405 Intermediate Similarity NPD6476 Clinical (unspecified phase)
0.7402 Intermediate Similarity NPD6769 Clinical (unspecified phase)
0.7397 Intermediate Similarity NPD5640 Discontinued
0.7395 Intermediate Similarity NPD8109 Clinical (unspecified phase)
0.7395 Intermediate Similarity NPD4429 Discontinued
0.7391 Intermediate Similarity NPD6525 Clinical (unspecified phase)
0.7389 Intermediate Similarity NPD6491 Clinical (unspecified phase)
0.7387 Intermediate Similarity NPD3039 Clinical (unspecified phase)
0.7385 Intermediate Similarity NPD5751 Clinical (unspecified phase)
0.7381 Intermediate Similarity NPD5658 Approved
0.7381 Intermediate Similarity NPD2739 Clinical (unspecified phase)
0.7381 Intermediate Similarity NPD7671 Approved
0.7381 Intermediate Similarity NPD7672 Approved
0.7381 Intermediate Similarity NPD5528 Clinical (unspecified phase)
0.7381 Intermediate Similarity NPD5529 Phase 1
0.7381 Intermediate Similarity NPD5863 Clinical (unspecified phase)
0.7376 Intermediate Similarity NPD4372 Phase 1
0.7376 Intermediate Similarity NPD7567 Approved
0.7376 Intermediate Similarity NPD5022 Discontinued
0.7371 Intermediate Similarity NPD1923 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD3003 Approved
0.7358 Intermediate Similarity NPD5936 Approved
0.7358 Intermediate Similarity NPD5939 Approved
0.7358 Intermediate Similarity NPD3570 Phase 2
0.7358 Intermediate Similarity NPD4131 Phase 3
0.7347 Intermediate Similarity NPD3920 Phase 2
0.7344 Intermediate Similarity NPD2781 Approved
0.7336 Intermediate Similarity NPD8100 Phase 3
0.7333 Intermediate Similarity NPD6290 Phase 2
0.7333 Intermediate Similarity NPD4344 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD4343 Phase 1
0.733 Intermediate Similarity NPD2782 Approved
0.733 Intermediate Similarity NPD2780 Approved
0.733 Intermediate Similarity NPD925 Approved
0.733 Intermediate Similarity NPD926 Approved
0.733 Intermediate Similarity NPD7555 Discontinued
0.733 Intermediate Similarity NPD4548 Discontinued
0.7327 Intermediate Similarity NPD4148 Approved
0.7327 Intermediate Similarity NPD2334 Discontinued
0.7324 Intermediate Similarity NPD3330 Phase 1
0.7317 Intermediate Similarity NPD7948 Phase 1
0.7317 Intermediate Similarity NPD1622 Discontinued
0.7304 Intermediate Similarity NPD3810 Clinical (unspecified phase)
0.7302 Intermediate Similarity NPD6803 Clinical (unspecified phase)
0.7297 Intermediate Similarity NPD7589 Clinical (unspecified phase)
0.7295 Intermediate Similarity NPD484 Approved
0.7295 Intermediate Similarity NPD6219 Discontinued
0.7289 Intermediate Similarity NPD3006 Discontinued
0.7282 Intermediate Similarity NPD5065 Approved
0.7277 Intermediate Similarity NPD7169 Suspended
0.726 Intermediate Similarity NPD6824 Clinical (unspecified phase)
0.7256 Intermediate Similarity NPD4897 Phase 2
0.7255 Intermediate Similarity NPD4526 Approved
0.7255 Intermediate Similarity NPD4529 Approved
0.7255 Intermediate Similarity NPD4528 Approved
0.725 Intermediate Similarity NPD7424 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD5930 Phase 3
0.7246 Intermediate Similarity NPD1768 Approved
0.7244 Intermediate Similarity NPD6963 Approved
0.7244 Intermediate Similarity NPD6964 Approved
0.7235 Intermediate Similarity NPD7395 Discontinued
0.7233 Intermediate Similarity NPD6988 Phase 1
0.7231 Intermediate Similarity NPD2077 Approved
0.7231 Intermediate Similarity NPD2076 Approved
0.7225 Intermediate Similarity NPD6750 Phase 2
0.7225 Intermediate Similarity NPD6975 Discontinued
0.7225 Intermediate Similarity NPD3931 Approved
0.7225 Intermediate Similarity NPD3928 Approved

Structure

External Identifiers

PubChem CID   441074
ChEMBL   CHEMBL1294
ZINC  

Physicochemical Properties

Molecular Weight:  324.18
ALogP:  -0.5136
MLogP:  3.22
XLogP:  2.662
# Rotatable Bonds:  6
Polar Surface Area:  45.59
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  24

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Biological Activities  
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