Natural Product: NPC116961

Natural Product ID:  NPC116961
Common Name:   Loratadine
IUPAC Name:   ethyl 4-(8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidine-1-carboxylate
Synonyms:   Alavert; Children's Claritin; Claritin; Claritin Hives Relief; Claritin Hives Relief Reditab; Claritin Reditabs; Claritin-D; Clarityn; Clarityn Rapide; Clarityne; Hay-Rite; Loratadine; Loratadine Redidose; Roletra; SCH-29851
Molecular Formula:   C22H23ClN2O2
Standard InCHIKey:  JCCNYMKQOSZNPW-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3
Canonical SMILES:  CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1
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
NPO24778 Sesamum indicum Species Pedaliaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT98 Individual Protein HERG Homo sapiens IC50 = 173 nM 12190308
NPT274 Individual Protein Platelet activating factor receptor Homo sapiens IC50 > 50000 nM 1671420
NPT4293 Individual Protein Histamine H1 receptor Rattus norvegicus Ki = 350 nM 1671420
NPT32 Organism Mus musculus Mus musculus ED50 = 0.21 mg/kg 7853343
NPT4292 Individual Protein Histamine H1 receptor Mus musculus ID50 = 36 mg/kg 7853343
NPT938 Organism Cavia porcellus Cavia porcellus Inhibition = 80 % 7853343
NPT419 Organism Oryctolagus cuniculus Oryctolagus cuniculus IC50 = 135000 nM 7914928
NPT29 Organism Rattus norvegicus Rattus norvegicus ID50 > 5 mg/kg 7914928
NPT32 Organism Mus musculus Mus musculus ID50 > 30 mg/kg 7914928
NPT938 Organism Cavia porcellus Cavia porcellus IC50 = 290 nM 7914928
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 66.3 % 7914928
NPT32 Organism Mus musculus Mus musculus ID50 = 19 mg/kg 7914928
NPT32 Organism Mus musculus Mus musculus ID50 > 10 mg/kg 7914928
NPT29 Organism Rattus norvegicus Rattus norvegicus ID50 = 2.4 mg/kg 7914928
NPT605 Organism Homo sapiens Homo sapiens IC50 > 50000 nM 9934454
NPT98 Individual Protein HERG Homo sapiens IC50 = 169.82 nM 12873512
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 1.8 mg/kg 15771458
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 1.6 mg/kg 15771458
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 2.7 mg/kg 15771458
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 6.2 mg/kg 15771458
NPT938 Organism Cavia porcellus Cavia porcellus ED50 = 0.08 mg/kg 15771458
NPT938 Organism Cavia porcellus Cavia porcellus ED50 = 0.32 mg/kg 15771458
NPT938 Organism Cavia porcellus Cavia porcellus ED50 = 2.2 mg/kg 15771458
NPT938 Organism Cavia porcellus Cavia porcellus ED50 = 0.42 mg/kg 15771458
NPT1016 Organism Canis familiaris Canis lupus familiaris ED50 = 0.2 mg/kg 15771458
NPT251 Individual Protein Histamine H1 receptor Homo sapiens Ki = 37 nM 15771458
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 0.29 mg/kg 15771458
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 0.22 mg/kg 15771458
NPT938 Organism Cavia porcellus Cavia porcellus ED50 = 0.074 mg/kg 15771458
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 0.89 mg/kg 15771458
NPT251 Individual Protein Histamine H1 receptor Homo sapiens Ki = 414 nM 15482930
NPT98 Individual Protein HERG Homo sapiens IC50 = 169.82 nM 15911273
NPT274 Individual Protein Platelet activating factor receptor Homo sapiens IC50 = 135000 nM 16220969
NPT251 Individual Protein Histamine H1 receptor Homo sapiens IC50 = 290 nM 16220969
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Inhibition = 30 % 15566302
NPT4292 Individual Protein Histamine H1 receptor Mus musculus ED50 = 12.9 mg/kg 15566302
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 0.75 mg/kg 15566302
NPT156 Individual Protein Sphingomyelin phosphodiesterase Homo sapiens Activity = 118.3 % 18027916
NPT612 Individual Protein Canalicular multispecific organic anion transporter 1 Homo sapiens Activity = 6 % 18457386
NPT98 Individual Protein HERG Homo sapiens IC50 = 169.82 nM 18448342
NPT613 Individual Protein Solute carrier family 22 member 1 Homo sapiens Inhibition = 51.8 % 18788725
NPT98 Individual Protein HERG Homo sapiens IC50 = 173.78 nM 19110341
NPT4288 Individual Protein Histamine H1 receptor Cavia porcellus Inhibition = 15.67 % 20110173
NPT4288 Individual Protein Histamine H1 receptor Cavia porcellus Inhibition = 33.36 % 20110173
NPT4288 Individual Protein Histamine H1 receptor Cavia porcellus Inhibition = 64.7 % 20110173
NPT2 Others Unspecified IC50 = 13300 nM 20180535
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi IC50 = 23000 nM 20180535
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 10000 nM 19734910
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 6309.57 nM 19734910
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 5011.87 nM 19734910
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 1995.26 nM 19734910
NPT197 Protein-Protein Interaction Menin/Histone-lysine N-methyltransferase MLL Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 10000 nM PubChem BioAssay data set
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 22387.2 nM PubChem BioAssay data set
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 11220.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 12589.3 nM PubChem BioAssay data set
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae Potency = 17782.8 nM PubChem BioAssay data set
NPT537 Individual Protein Ras-related protein Rab-9A Homo sapiens Potency = 100000 nM PubChem BioAssay data set
NPT93 Individual Protein Survival motor neuron protein Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT93 Individual Protein Survival motor neuron protein Homo sapiens Potency = 11220.2 nM PubChem BioAssay data set
NPT210 Individual Protein Thyroid stimulating hormone receptor Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT210 Individual Protein Thyroid stimulating hormone receptor Homo sapiens Potency = 19952.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 5011.9 nM PubChem BioAssay data set
NPT791 Individual Protein Cruzipain Trypanosoma cruzi Potency = 39810.7 nM PubChem BioAssay data set
NPT791 Individual Protein Cruzipain Trypanosoma cruzi Potency = 19952.6 nM PubChem BioAssay data set
NPT791 Individual Protein Cruzipain Trypanosoma cruzi Potency = 31622.8 nM PubChem BioAssay data set
NPT213 Individual Protein Cytochrome P450 2C19 Homo sapiens Potency = 398.1 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 25118.9 nM PubChem BioAssay data set
NPT213 Individual Protein Cytochrome P450 2C19 Homo sapiens Potency = 12589.3 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 12589.3 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 10000 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 28183.8 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 35481.3 nM PubChem BioAssay data set
NPT211 Individual Protein Hypoxia-inducible factor 1 alpha Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT796 Individual Protein Peripheral myelin protein 22 Homo sapiens Potency = 42561.5 nM PubChem BioAssay data set
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT583 Individual Protein Inositol monophosphatase 1 Rattus norvegicus Potency = 446.7 nM PubChem BioAssay data set
NPT54 Individual Protein Nonstructural protein 1 Influenza A virus Potency = 28183.8 nM PubChem BioAssay data set
NPT792 Individual Protein Arachidonate 15-lipoxygenase Homo sapiens Potency = 25118.9 nM PubChem BioAssay data set
NPT54 Individual Protein Nonstructural protein 1 Influenza A virus Potency = 10000 nM PubChem BioAssay data set
NPT940 Individual Protein Serine/threonine-protein kinase mTOR Homo sapiens Potency = 23280.9 nM PubChem BioAssay data set
NPT282 Individual Protein MAP kinase ERK2 Homo sapiens Potency = 19952.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 2238.7 nM PubChem BioAssay data set
NPT197 Protein-Protein Interaction Menin/Histone-lysine N-methyltransferase MLL Homo sapiens Potency = 3548.1 nM PubChem BioAssay data set
NPT197 Protein-Protein Interaction Menin/Histone-lysine N-methyltransferase MLL Homo sapiens Potency = 10000 nM PubChem BioAssay data set
NPT197 Protein-Protein Interaction Menin/Histone-lysine N-methyltransferase MLL Homo sapiens Potency = 12589.3 nM PubChem BioAssay data set
NPT45 Individual Protein Ubiquitin carboxyl-terminal hydrolase 2 Homo sapiens Potency = 12589.3 nM PubChem BioAssay data set
NPT538 Individual Protein Niemann-Pick C1 protein Homo sapiens Potency = 58047.9 nM PubChem BioAssay data set
NPT58 Individual Protein Bloom syndrome protein Homo sapiens Potency = 28183.8 nM PubChem BioAssay data set
NPT95 Individual Protein Muscarinic acetylcholine receptor M1 Rattus norvegicus Potency = 1258.9 nM PubChem BioAssay data set
NPT96 Individual Protein Thrombopoietin Homo sapiens Potency = 19952.6 nM PubChem BioAssay data set
NPT539 Individual Protein Cellular tumor antigen p53 Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT95 Individual Protein Muscarinic acetylcholine receptor M1 Rattus norvegicus Potency = 19952.6 nM PubChem BioAssay data set
NPT539 Individual Protein Cellular tumor antigen p53 Homo sapiens Potency = 25118.9 nM PubChem BioAssay data set
NPT1416 Individual Protein Neuropeptide S receptor Homo sapiens Potency = 7943.3 nM PubChem BioAssay data set
NPT1416 Individual Protein Neuropeptide S receptor Homo sapiens Potency = 12589.3 nM PubChem BioAssay data set
NPT1416 Individual Protein Neuropeptide S receptor Homo sapiens Potency = 3981.1 nM PubChem BioAssay data set
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Potency = 6309.6 nM PubChem BioAssay data set
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 35481.3 nM PubChem BioAssay data set
NPT212 Individual Protein Cytochrome P450 2C9 Homo sapiens Potency = 39.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 39810.7 nM PubChem BioAssay data set
NPT212 Individual Protein Cytochrome P450 2C9 Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi EC50 = 9000 nM 20547819
NPT2 Others Unspecified Ratio EC50 = 1.9 20547819
NPT98 Individual Protein HERG Homo sapiens IC50 = 173.78 nM 21185626
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 25918.5 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 8199.5 nM PubChem BioAssay data set
NPT800 Individual Protein M-phase phosphoprotein 8 Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 12589.3 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 56234.1 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT63 Individual Protein Bromodomain adjacent to zinc finger domain protein 2B Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29092.9 nM PubChem BioAssay data set
NPT1139 Individual Protein Arachidonate 15-lipoxygenase, type II Homo sapiens Potency 12589.3 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 18526 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 11689.1 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 18348.9 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 20596.2 nM PubChem BioAssay data set
NPT213 Individual Protein Cytochrome P450 2C19 Homo sapiens AC50 = 12589.25 nM PubChem BioAssay data set
NPT212 Individual Protein Cytochrome P450 2C9 Homo sapiens AC50 = 15848.93 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 10417.9 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 446.7 nM PubChem BioAssay data set
NPT98 Individual Protein HERG Homo sapiens Potency 25118.9 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 8492.1 nM PubChem BioAssay data set
NPT71 Cell Line HEK293 Homo sapiens Potency 12990 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15848.9 nM PubChem BioAssay data set
NPT71 Cell Line HEK293 Homo sapiens Potency 12589.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 9196.2 nM PubChem BioAssay data set
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 56234.1 nM PubChem BioAssay data set
NPT213 Individual Protein Cytochrome P450 2C19 Homo sapiens IC50 = 16 nM DrugMatrix in vitro pharmacology data
NPT251 Individual Protein Histamine H1 receptor Homo sapiens IC50 = 170 nM DrugMatrix in vitro pharmacology data
NPT251 Individual Protein Histamine H1 receptor Homo sapiens Ki = 20 nM DrugMatrix in vitro pharmacology data
NPT98 Individual Protein HERG Homo sapiens IC50 = 39086.6 nM DrugMatrix in vitro pharmacology data
NPT98 Individual Protein HERG Homo sapiens Ki = 32022.8 nM DrugMatrix in vitro pharmacology data
NPT291 Individual Protein Serotonin 2b (5-HT2b) receptor Homo sapiens IC50 = 245 nM DrugMatrix in vitro pharmacology data
NPT291 Individual Protein Serotonin 2b (5-HT2b) receptor Homo sapiens Ki = 156 nM DrugMatrix in vitro pharmacology data
NPT367 Cell Line MDA-N Homo sapiens GI50 4549.88 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 10209.39 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 4149.54 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 15776.11 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 1636.82 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 10046.16 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 6123.5 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 11534.53 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 2084.49 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 13212.96 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 6123.5 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 5942.92 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 849.18 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 7780.37 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 4226.69 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 6561.45 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 15205.48 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 13995.87 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 12705.74 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 20844.91 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 18793.17 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 20044.72 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 13243.42 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 2636.33 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 11830.42 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 10592.54 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 12416.52 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 11142.95 nM PubChem BioAssay data set
NPT445 Individual Protein Peripheral myelin protein 22 Rattus norvegicus Potency 40533.4 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 3828.25 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 3689.78 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 10864.26 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 11168.63 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 10023.05 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 13427.65 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 3265.88 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 7550.92 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 11220.18 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 10115.79 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 13899.53 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 10447.2 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 7396.05 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 15523.87 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 13335.21 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 3435.58 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 4731.51 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 7211.07 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 8830.8 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 1786.49 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 26915.35 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 15170.5 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 15031.42 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 4315.19 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 3176.87 nM PubChem BioAssay data set
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 14588.14 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 5571.86 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 6714.29 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 9141.13 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens IC50 = 7500 nM 22450132
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 8400 nM 22450132
NPT139 Cell Line HT-29 Homo sapiens IC50 = 6200 nM 22450132
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens IC50 = 11400 nM 11454724
NPT83 Cell Line MCF7 Homo sapiens IC50 = 7500 nM 22959205
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 8400 nM 22959205
NPT139 Cell Line HT-29 Homo sapiens IC50 = 6200 nM 22959205
NPT10 Individual Protein Geminin Homo sapiens Potency 23109.3 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 5804.8 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 33498.3 nM PubChem BioAssay data set
NPT501 Individual Protein Alpha-galactosidase A Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT100 Individual Protein Glutaminase kidney isoform, mitochondrial Homo sapiens Potency 31622.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10000 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 326.4 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 29092.9 nM PubChem BioAssay data set
NPT478 Individual Protein Ataxin-2 Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT101 Individual Protein Glucagon-like peptide 1 receptor Homo sapiens Potency 14125.4 nM PubChem BioAssay data set
NPT755 Individual Protein Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Homo sapiens Potency 100000 nM PubChem BioAssay data set
NPT622 Individual Protein Solute carrier organic anion transporter family member 2B1 Homo sapiens Inhibition = 28.1 % 22541068
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 45 % 22541068
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 43.2 % 22541068
NPT2 Others Unspecified Ratio = 2 22506484
NPT616 Cell Line MDCK Canis lupus familiaris Ratio = 1.9 22506484
NPT857 Cell Line LLC-PK1 Sus scrofa Ratio = 0.5 24900570
NPT2 Others Unspecified Potency 20596.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 12995.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11885.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2660.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 14963.1 nM PubChem BioAssay data set
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Potency 29092.9 nM PubChem BioAssay data set
NPT540 Individual Protein Bile acid receptor FXR Homo sapiens IC50 = 3070 nM 23688559
NPT540 Individual Protein Bile acid receptor FXR Homo sapiens Inhibition = 72.5 % 23688559
NPT543 Individual Protein Pregnane X receptor Homo sapiens EC50 = 3000 nM 23688559
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 83.88 % 23571415
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 101.04 % 23571415
NPT2 Others Unspecified Potency 11883.2 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 17373.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29847 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 61130.6 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 29849.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 27535.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 38895.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61644.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54482.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29849.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21117.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61130.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 48966.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 23710.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 43641.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10682.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3348.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 26603.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8412 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 33488.9 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 76958.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 39810.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 31622.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 27306 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 26601.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21872.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 13332.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 17373.9 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 61644.8 nM PubChem BioAssay data set
NPT104 Individual Protein Cerebroside-sulfatase Homo sapiens Potency 213.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 9688.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 33488.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 30637.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 68589.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 43277.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 33491.5 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 43641.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6740 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54941 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 30106.5 nM PubChem BioAssay data set
NPT162 Individual Protein Heat shock protein beta-1 Homo sapiens Potency 26601.1 nM PubChem BioAssay data set
NPT162 Individual Protein Heat shock protein beta-1 Homo sapiens Potency 54941 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7497.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21313.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 26832.5 nM PubChem BioAssay data set
NPT11 Individual Protein Guanine nucleotide-binding protein G(s), subunit alpha Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8412.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10870.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10590.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 9439.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8634.9 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 54941 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 16785.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5623.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 14125.4 nM PubChem BioAssay data set
NPT251 Individual Protein Histamine H1 receptor Homo sapiens Ki = 311 nM 25318072
NPT4342 Individual Protein Sodium-dependent neutral amino acid transporter B(0)AT2 Homo sapiens IC50 = 4000 nM 25318072
NPT1418 Individual Protein Anandamide amidohydrolase Homo sapiens Inhibition = 11 % 25752982
NPT4288 Individual Protein Histamine H1 receptor Cavia porcellus Kd = 72.44 nM 25752982
NPT2 Others Unspecified IC50 = 11400 nM 23812503
NPT213 Individual Protein Cytochrome P450 2C19 Homo sapiens IC50 = 2800 nM 22328583
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens IC50 > 30000 nM 22328583
NPT212 Individual Protein Cytochrome P450 2C9 Homo sapiens IC50 > 30000 nM 22328583
NPT208 Individual Protein Cytochrome P450 1A2 Homo sapiens IC50 > 30000 nM 22328583
NPT1463 Individual Protein Cytochrome P450 2J2 Homo sapiens Activity = 11.4 % 22328583
NPT1463 Individual Protein Cytochrome P450 2J2 Homo sapiens Activity = 4 % 22328583
NPT628 Individual Protein Cytochrome P450 2C8 Homo sapiens IC50 = 2950 nM 22328583
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens IC50 < 100 nM 22328583
NPT543 Individual Protein Pregnane X receptor Homo sapiens EC50 = 10000 nM 20966043
NPT543 Individual Protein Pregnane X receptor Homo sapiens EC50 = 12600 nM 20966043
NPT2 Others Unspecified AC50 19960 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 23914.5 nM PubChem BioAssay data set
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 16930.1 nM PubChem BioAssay data set
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 48966.2 nM PubChem BioAssay data set
NPT74 Individual Protein Proto-oncogene c-JUN Homo sapiens Potency 7562.4 nM PubChem BioAssay data set
NPT74 Individual Protein Proto-oncogene c-JUN Homo sapiens Potency 12299.8 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 17782.8 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 2511.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 436.4 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 22387.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 19493.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21131.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6859 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 6309.6 nM PubChem BioAssay data set

  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 NPC116961 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
0.8442 Intermediate Similarity NPC315348
0.8442 Intermediate Similarity NPC32002
0.7574 Intermediate Similarity NPC476464
0.7566 Intermediate Similarity NPC471617
0.7485 Intermediate Similarity NPC477591
0.7421 Intermediate Similarity NPC256893
0.7407 Intermediate Similarity NPC314102
0.7407 Intermediate Similarity NPC251722
0.7407 Intermediate Similarity NPC471312
0.7235 Intermediate Similarity NPC40070
0.7219 Intermediate Similarity NPC477974
0.7212 Intermediate Similarity NPC316811
0.7197 Intermediate Similarity NPC476322
0.7159 Intermediate Similarity NPC478182
0.7143 Intermediate Similarity NPC91958
0.7143 Intermediate Similarity NPC69914
0.7143 Intermediate Similarity NPC143603
0.7101 Intermediate Similarity NPC86288
0.7093 Intermediate Similarity NPC470233
0.7081 Intermediate Similarity NPC476131
0.7078 Intermediate Similarity NPC240136
0.7078 Intermediate Similarity NPC471402
0.7078 Intermediate Similarity NPC297486
0.707 Intermediate Similarity NPC329825
0.7069 Intermediate Similarity NPC51054
0.7048 Intermediate Similarity NPC169433
0.7037 Intermediate Similarity NPC282398
0.7025 Intermediate Similarity NPC46358
0.7025 Intermediate Similarity NPC290094
0.7024 Intermediate Similarity NPC476454
0.7022 Intermediate Similarity NPC477975
0.7019 Intermediate Similarity NPC89490
0.7006 Intermediate Similarity NPC104483
0.6989 Remote Similarity NPC293487
0.6988 Remote Similarity NPC65408
0.6988 Remote Similarity NPC150259
0.6983 Remote Similarity NPC56233
0.6975 Remote Similarity NPC329896
0.6975 Remote Similarity NPC475105
0.6975 Remote Similarity NPC475090
0.6954 Remote Similarity NPC200214
0.6954 Remote Similarity NPC138842
0.6937 Remote Similarity NPC146373
0.6937 Remote Similarity NPC166424
0.6937 Remote Similarity NPC245244
0.6932 Remote Similarity NPC129721
0.6919 Remote Similarity NPC314919
0.6899 Remote Similarity NPC182570
0.6899 Remote Similarity NPC265605
0.6899 Remote Similarity NPC48564
0.6894 Remote Similarity NPC202957
0.6894 Remote Similarity NPC169625
0.6893 Remote Similarity NPC56765
0.6889 Remote Similarity NPC478183
0.6882 Remote Similarity NPC20144
0.6872 Remote Similarity NPC478184
0.6867 Remote Similarity NPC325599
0.6865 Remote Similarity NPC248462
0.6865 Remote Similarity NPC12649
0.6854 Remote Similarity NPC255229
0.6854 Remote Similarity NPC81229
0.6852 Remote Similarity NPC471313
0.6852 Remote Similarity NPC471311
0.6848 Remote Similarity NPC203754
0.6848 Remote Similarity NPC150048
0.6848 Remote Similarity NPC313352
0.6821 Remote Similarity NPC470111
0.6816 Remote Similarity NPC478185
0.6813 Remote Similarity NPC32534
0.6813 Remote Similarity NPC91895
0.6811 Remote Similarity NPC68354
0.6805 Remote Similarity NPC73767
0.6802 Remote Similarity NPC470440
0.6802 Remote Similarity NPC314372
0.6798 Remote Similarity NPC80681
0.6796 Remote Similarity NPC114637
0.6793 Remote Similarity NPC37423
0.6793 Remote Similarity NPC275305
0.6788 Remote Similarity NPC101165
0.6784 Remote Similarity NPC190296
0.6778 Remote Similarity NPC78375
0.6778 Remote Similarity NPC476446
0.6778 Remote Similarity NPC469813
0.6778 Remote Similarity NPC311276
0.6765 Remote Similarity NPC469779
0.6765 Remote Similarity NPC469767
0.6765 Remote Similarity NPC469768
0.6765 Remote Similarity NPC469761
0.6765 Remote Similarity NPC469780
0.6765 Remote Similarity NPC469784
0.6765 Remote Similarity NPC469783
0.6758 Remote Similarity NPC70949
0.6755 Remote Similarity NPC472104
0.6744 Remote Similarity NPC471323
0.6743 Remote Similarity NPC24678
0.6743 Remote Similarity NPC105818
0.6742 Remote Similarity NPC469762
0.6742 Remote Similarity NPC469897
0.6739 Remote Similarity NPC477976
0.6738 Remote Similarity NPC24864
0.6736 Remote Similarity NPC316018
0.6736 Remote Similarity NPC316359
0.6736 Remote Similarity NPC315617
0.6736 Remote Similarity NPC314058
0.6732 Remote Similarity NPC27802
0.6725 Remote Similarity NPC469766
0.6722 Remote Similarity NPC194881
0.6721 Remote Similarity NPC194411
0.672 Remote Similarity NPC14325
0.672 Remote Similarity NPC28848
0.672 Remote Similarity NPC157583
0.6706 Remote Similarity NPC110126
0.6705 Remote Similarity NPC285731
0.6704 Remote Similarity NPC318065
0.6704 Remote Similarity NPC206819
0.6686 Remote Similarity NPC84911
0.6685 Remote Similarity NPC90723
0.6685 Remote Similarity NPC469785
0.6685 Remote Similarity NPC265100
0.6684 Remote Similarity NPC215795
0.6684 Remote Similarity NPC176199
0.6667 Remote Similarity NPC469765
0.6667 Remote Similarity NPC259644
0.6667 Remote Similarity NPC73952
0.6667 Remote Similarity NPC44773
0.6667 Remote Similarity NPC238499
0.6667 Remote Similarity NPC469760
0.6667 Remote Similarity NPC469786
0.6667 Remote Similarity NPC215584
0.6667 Remote Similarity NPC469763
0.6667 Remote Similarity NPC25008
0.6649 Remote Similarity NPC161861
0.6649 Remote Similarity NPC73994
0.6648 Remote Similarity NPC471178
0.6648 Remote Similarity NPC286427
0.6646 Remote Similarity NPC81561
0.6632 Remote Similarity NPC472119
0.6631 Remote Similarity NPC64436
0.6631 Remote Similarity NPC237188
0.663 Remote Similarity NPC471177
0.663 Remote Similarity NPC71079
0.663 Remote Similarity NPC59779
0.663 Remote Similarity NPC124542
0.6629 Remote Similarity NPC201380
0.6629 Remote Similarity NPC21605
0.6629 Remote Similarity NPC211572
0.6629 Remote Similarity NPC70922
0.6629 Remote Similarity NPC80597
0.6629 Remote Similarity NPC75540
0.6629 Remote Similarity NPC179787
0.6629 Remote Similarity NPC212376
0.6627 Remote Similarity NPC261195
0.6627 Remote Similarity NPC29886
0.6627 Remote Similarity NPC96102
0.6611 Remote Similarity NPC41257
0.6609 Remote Similarity NPC159856
0.6608 Remote Similarity NPC88097
0.6598 Remote Similarity NPC473763
0.6598 Remote Similarity NPC117244
0.6596 Remote Similarity NPC11126
0.6595 Remote Similarity NPC201634
0.6593 Remote Similarity NPC40779
0.6593 Remote Similarity NPC474217
0.6592 Remote Similarity NPC115049
0.6592 Remote Similarity NPC169586
0.6591 Remote Similarity NPC321911
0.6588 Remote Similarity NPC105127
0.6587 Remote Similarity NPC471322
0.6587 Remote Similarity NPC324611
0.6582 Remote Similarity NPC476566
0.6582 Remote Similarity NPC148140
0.6579 Remote Similarity NPC83381
0.6579 Remote Similarity NPC143533
0.6578 Remote Similarity NPC472122
0.6578 Remote Similarity NPC24594
0.6576 Remote Similarity NPC201700
0.6573 Remote Similarity NPC281094
0.6573 Remote Similarity NPC325903
0.6571 Remote Similarity NPC63545
0.6564 Remote Similarity NPC27740
0.6556 Remote Similarity NPC167635
0.6556 Remote Similarity NPC193740
0.6554 Remote Similarity NPC53947
0.6546 Remote Similarity NPC95783
0.6545 Remote Similarity NPC278451
0.6545 Remote Similarity NPC228835
0.6543 Remote Similarity NPC326575
0.6538 Remote Similarity NPC242116
0.6536 Remote Similarity NPC76540
0.6536 Remote Similarity NPC229055
0.6536 Remote Similarity NPC231655
0.6534 Remote Similarity NPC469811
0.6534 Remote Similarity NPC471957
0.6532 Remote Similarity NPC473868
0.6532 Remote Similarity NPC63157
0.6524 Remote Similarity NPC469938
0.6522 Remote Similarity NPC474561
0.6522 Remote Similarity NPC127730
0.6522 Remote Similarity NPC49954
0.6522 Remote Similarity NPC98187

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC116961 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 NPD4973 Approved
0.9419 High Similarity NPD4384 Clinical (unspecified phase)
0.9241 High Similarity NPD3929 Clinical (unspecified phase)
0.8788 High Similarity NPD6471 Clinical (unspecified phase)
0.8742 High Similarity NPD6497 Approved
0.8671 High Similarity NPD3339 Approved
0.8442 Intermediate Similarity NPD2074 Approved
0.8442 Intermediate Similarity NPD2073 Approved
0.8442 Intermediate Similarity NPD2072 Approved
0.8442 Intermediate Similarity NPD2075 Approved
0.8235 Intermediate Similarity NPD3944 Approved
0.8235 Intermediate Similarity NPD3942 Approved
0.7803 Intermediate Similarity NPD2077 Approved
0.7803 Intermediate Similarity NPD2076 Approved
0.7784 Intermediate Similarity NPD3927 Phase 2
0.7727 Intermediate Similarity NPD2118 Approved
0.7727 Intermediate Similarity NPD2119 Approved
0.7705 Intermediate Similarity NPD4526 Approved
0.7705 Intermediate Similarity NPD4529 Approved
0.7705 Intermediate Similarity NPD4528 Approved
0.7658 Intermediate Similarity NPD4028 Approved
0.7658 Intermediate Similarity NPD4030 Approved
0.7658 Intermediate Similarity NPD4029 Approved
0.7644 Intermediate Similarity NPD3116 Approved
0.7644 Intermediate Similarity NPD3117 Approved
0.7633 Intermediate Similarity NPD2373 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD2165 Phase 1
0.7574 Intermediate Similarity NPD3113 Approved
0.7574 Intermediate Similarity NPD3112 Approved
0.7574 Intermediate Similarity NPD3114 Approved
0.7574 Intermediate Similarity NPD3115 Approved
0.7566 Intermediate Similarity NPD6802 Phase 3
0.7529 Intermediate Similarity NPD2865 Clinical (unspecified phase)
0.7529 Intermediate Similarity NPD5541 Clinical (unspecified phase)
0.7473 Intermediate Similarity NPD6217 Discontinued
0.747 Intermediate Similarity NPD7469 Discontinued
0.7468 Intermediate Similarity NPD3475 Approved
0.7468 Intermediate Similarity NPD3476 Approved
0.7424 Intermediate Similarity NPD7185 Discontinued
0.7423 Intermediate Similarity NPD768 Clinical (unspecified phase)
0.7399 Intermediate Similarity NPD6771 Discontinued
0.7386 Intermediate Similarity NPD4024 Phase 3
0.7321 Intermediate Similarity NPD2110 Approved
0.7318 Intermediate Similarity NPD4385 Clinical (unspecified phase)
0.7318 Intermediate Similarity NPD2771 Approved
0.7303 Intermediate Similarity NPD7217 Approved
0.7303 Intermediate Similarity NPD7216 Approved
0.7278 Intermediate Similarity NPD5538 Clinical (unspecified phase)
0.7253 Intermediate Similarity NPD4891 Phase 2
0.7232 Intermediate Similarity NPD7287 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD5862 Discovery
0.7225 Intermediate Similarity NPD2582 Approved
0.7225 Intermediate Similarity NPD2581 Approved
0.7219 Intermediate Similarity NPD4702 Approved
0.7219 Intermediate Similarity NPD4703 Approved
0.7219 Intermediate Similarity NPD4547 Phase 3
0.7212 Intermediate Similarity NPD2070 Approved
0.7212 Intermediate Similarity NPD2071 Approved
0.7212 Intermediate Similarity NPD2069 Approved
0.7212 Intermediate Similarity NPD2068 Approved
0.72 Intermediate Similarity NPD5400 Approved
0.7198 Intermediate Similarity NPD6514 Clinical (unspecified phase)
0.7198 Intermediate Similarity NPD6515 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD5255 Approved
0.7174 Intermediate Similarity NPD5892 Approved
0.717 Intermediate Similarity NPD991 Phase 2
0.717 Intermediate Similarity NPD992 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD2896 Discontinued
0.7152 Intermediate Similarity NPD1380 Discovery
0.7143 Intermediate Similarity NPD2511 Approved
0.7143 Intermediate Similarity NPD715 Phase 3
0.7143 Intermediate Similarity NPD6454 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD2466 Phase 3
0.7135 Intermediate Similarity NPD2465 Approved
0.7135 Intermediate Similarity NPD7913 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD2462 Phase 3
0.711 Intermediate Similarity NPD2809 Approved
0.7093 Intermediate Similarity NPD5965 Clinical (unspecified phase)
0.7093 Intermediate Similarity NPD3306 Approved
0.7069 Intermediate Similarity NPD473 Clinical (unspecified phase)
0.7068 Intermediate Similarity NPD3362 Clinical (unspecified phase)
0.7065 Intermediate Similarity NPD4011 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD1918 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD4640 Approved
0.7039 Intermediate Similarity NPD4638 Approved
0.7039 Intermediate Similarity NPD4639 Approved
0.7037 Intermediate Similarity NPD4699 Discontinued
0.7024 Intermediate Similarity NPD1382 Phase 2
0.7024 Intermediate Similarity NPD6615 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD1383 Phase 3
0.7024 Intermediate Similarity NPD5020 Approved
0.7022 Intermediate Similarity NPD2719 Clinical (unspecified phase)
0.7022 Intermediate Similarity NPD2720 Phase 1
0.7006 Intermediate Similarity NPD945 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD9583 Approved
0.6988 Remote Similarity NPD200 Phase 2
0.6988 Remote Similarity NPD201 Phase 2
0.6983 Remote Similarity NPD5636 Discontinued
0.6979 Remote Similarity NPD4848 Phase 1
0.6966 Remote Similarity NPD6635 Approved
0.6966 Remote Similarity NPD3583 Phase 2
0.6959 Remote Similarity NPD6148 Clinical (unspecified phase)
0.6954 Remote Similarity NPD2012 Clinical (unspecified phase)
0.6954 Remote Similarity NPD6288 Clinical (unspecified phase)
0.6954 Remote Similarity NPD2837 Discontinued
0.6952 Remote Similarity NPD5555 Phase 1
0.6952 Remote Similarity NPD3771 Phase 3
0.6951 Remote Similarity NPD1994 Approved
0.6951 Remote Similarity NPD1993 Approved
0.6951 Remote Similarity NPD1995 Approved
0.6946 Remote Similarity NPD1864 Clinical (unspecified phase)
0.694 Remote Similarity NPD4075 Phase 2
0.6935 Remote Similarity NPD6194 Discontinued
0.6931 Remote Similarity NPD2823 Clinical (unspecified phase)
0.6923 Remote Similarity NPD4524 Discontinued
0.6923 Remote Similarity NPD4112 Clinical (unspecified phase)
0.6911 Remote Similarity NPD7098 Clinical (unspecified phase)
0.6909 Remote Similarity NPD3385 Approved
0.6899 Remote Similarity NPD268 Approved
0.6899 Remote Similarity NPD271 Approved
0.6899 Remote Similarity NPD270 Clinical (unspecified phase)
0.6898 Remote Similarity NPD7564 Discontinued
0.6897 Remote Similarity NPD3854 Phase 1
0.6897 Remote Similarity NPD3340 Discovery
0.6889 Remote Similarity NPD1248 Discontinued
0.6882 Remote Similarity NPD4383 Clinical (unspecified phase)
0.6882 Remote Similarity NPD2007 Clinical (unspecified phase)
0.6878 Remote Similarity NPD3486 Clinical (unspecified phase)
0.6875 Remote Similarity NPD9357 Approved
0.6868 Remote Similarity NPD5472 Clinical (unspecified phase)
0.6867 Remote Similarity NPD1998 Approved
0.6867 Remote Similarity NPD1883 Approved
0.6851 Remote Similarity NPD4779 Clinical (unspecified phase)
0.6848 Remote Similarity NPD6044 Discontinued
0.6848 Remote Similarity NPD1627 Clinical (unspecified phase)
0.6847 Remote Similarity NPD6787 Phase 2
0.6845 Remote Similarity NPD4345 Clinical (unspecified phase)
0.6845 Remote Similarity NPD5213 Clinical (unspecified phase)
0.6842 Remote Similarity NPD7234 Approved
0.6842 Remote Similarity NPD3813 Approved
0.6842 Remote Similarity NPD7233 Approved
0.6836 Remote Similarity NPD4326 Phase 2
0.6833 Remote Similarity NPD4550 Clinical (unspecified phase)
0.6824 Remote Similarity NPD1722 Approved
0.6821 Remote Similarity NPD1661 Suspended
0.6818 Remote Similarity NPD975 Approved
0.6818 Remote Similarity NPD976 Approved
0.6818 Remote Similarity NPD977 Approved
0.6816 Remote Similarity NPD5315 Discontinued
0.6811 Remote Similarity NPD8122 Approved
0.6811 Remote Similarity NPD3505 Approved
0.6811 Remote Similarity NPD8123 Approved
0.6811 Remote Similarity NPD3506 Approved
0.6809 Remote Similarity NPD7482 Phase 2
0.6809 Remote Similarity NPD4484 Phase 1
0.6809 Remote Similarity NPD7483 Phase 2
0.6806 Remote Similarity NPD1905 Clinical (unspecified phase)
0.6806 Remote Similarity NPD1213 Phase 3
0.6806 Remote Similarity NPD6281 Approved
0.6805 Remote Similarity NPD4450 Approved
0.6805 Remote Similarity NPD4451 Approved
0.6798 Remote Similarity NPD7164 Discontinued
0.6796 Remote Similarity NPD4174 Clinical (unspecified phase)
0.6791 Remote Similarity NPD8408 Discontinued
0.6784 Remote Similarity NPD4446 Approved
0.6784 Remote Similarity NPD3717 Discontinued
0.6784 Remote Similarity NPD2006 Phase 2
0.6782 Remote Similarity NPD2430 Phase 2
0.6782 Remote Similarity NPD1183 Approved
0.678 Remote Similarity NPD7218 Clinical (unspecified phase)
0.6778 Remote Similarity NPD3323 Discontinued
0.6774 Remote Similarity NPD4076 Approved
0.6774 Remote Similarity NPD4079 Approved
0.6768 Remote Similarity NPD2807 Discontinued
0.6763 Remote Similarity NPD1886 Approved
0.6758 Remote Similarity NPD1292 Clinical (unspecified phase)
0.6757 Remote Similarity NPD5471 Phase 3
0.6757 Remote Similarity NPD5104 Approved
0.6757 Remote Similarity NPD6375 Clinical (unspecified phase)
0.6755 Remote Similarity NPD7401 Clinical (unspecified phase)
0.6746 Remote Similarity NPD3276 Approved
0.6746 Remote Similarity NPD1866 Approved
0.674 Remote Similarity NPD2915 Discontinued
0.6737 Remote Similarity NPD7026 Phase 2
0.6736 Remote Similarity NPD5505 Discontinued
0.6735 Remote Similarity NPD7204 Clinical (unspecified phase)
0.6726 Remote Similarity NPD792 Discontinued
0.6724 Remote Similarity NPD1270 Approved
0.672 Remote Similarity NPD2753 Discontinued
0.672 Remote Similarity NPD4957 Phase 2
0.672 Remote Similarity NPD6178 Phase 3
0.6718 Remote Similarity NPD7061 Clinical (unspecified phase)
0.6718 Remote Similarity NPD1851 Clinical (unspecified phase)
0.6706 Remote Similarity NPD786 Approved
0.6706 Remote Similarity NPD4804 Approved
0.6705 Remote Similarity NPD9343 Clinical (unspecified phase)
0.6705 Remote Similarity NPD4641 Discontinued
0.6703 Remote Similarity NPD6446 Discontinued
0.6703 Remote Similarity NPD5611 Phase 2
0.6702 Remote Similarity NPD2770 Discontinued

Structure

External Identifiers

PubChem CID   3957
ChEMBL   CHEMBL998
ZINC  

Physicochemical Properties

Molecular Weight:  382.14
ALogP:  1.7488
MLogP:  3.33
XLogP:  4.263
# Rotatable Bonds:  5
Polar Surface Area:  42.43
# H-Bond Aceptor:  4
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  27

Download Data

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Biological Activities  
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