Natural Product: NPC280026

Natural Product ID:  NPC280026
Common Name:   Lithocholic Acid
IUPAC Name:   (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Synonyms:   Lithocholate; Lithocholic Acid; Litocholic Acid
Molecular Formula:   C24H40O3
Standard InCHIKey:  SMEROWZSTRWXGI-HVATVPOCSA-N
Standard InCHI:  InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
Canonical SMILES:  O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO1797 Homo sapiens Species Hominidae Eukaryota PMID[23639599]
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[22664055]
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[16553252]
NPO1797 Homo sapiens Species Hominidae Eukaryota bile PMID[16548228]
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[24023812]
NPO20338 Mus musculus Species Muridae Eukaryota PMID[24399466]
NPO29662 Ursus thibetanus Species Ursidae Eukaryota TCMID*
NPO19657 Ursus arctos Species Ursidae Eukaryota TCMID*
NPO12323 Bos taurus Species Bovidae Eukaryota TCMID*
NPO17393 Bubalus bubalis Species Bovidae Eukaryota TCMID*
NPO18950 Cephalotaxus fortunei Species Taxaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 438800 Kb M-1 14643314
NPT2 Others Unspecified Activity = 46.8 % 10.1016/0960-894X(96)00092-3
NPT2 Others Unspecified Activity = 25.3 % 10.1016/0960-894X(96)00092-3
NPT745 Individual Protein G-protein coupled bile acid receptor 1 Homo sapiens EC50 = 580 nM 18307294
NPT540 Individual Protein Bile acid receptor FXR Homo sapiens EC50 = 20000 nM 18307294
NPT2 Others Unspecified Ratio EC50 = 0.029 18307294
NPT2611 Cell Line GBM Homo sapiens LD50 >= 0.05 nM 18768321
NPT393 Cell Line HCT-116 Homo sapiens LD50 > 0.05 nM 18768321
NPT2 Others Unspecified LD50 > 0.05 nM 18768321
NPT745 Individual Protein G-protein coupled bile acid receptor 1 Homo sapiens EC50 = 5600 nM 19911773
NPT540 Individual Protein Bile acid receptor FXR Homo sapiens EC50 = 6700 nM 19911773
NPT149 Individual Protein Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT211 Individual Protein Hypoxia-inducible factor 1 alpha Homo sapiens Potency = 50118.7 nM PubChem BioAssay data set
NPT1226 Individual Protein Caspase-7 Homo sapiens Potency = 12589.3 nM PubChem BioAssay data set
NPT210 Individual Protein Thyroid stimulating hormone receptor Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT50 Individual Protein Tyrosyl-DNA phosphodiesterase 1 Homo sapiens Potency = 44668.4 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 14125.4 nM PubChem BioAssay data set
NPT53 Individual Protein 4'-phosphopantetheinyl transferase ffp Bacillus subtilis Potency = 28183.8 nM PubChem BioAssay data set
NPT157 Individual Protein Breast cancer type 1 susceptibility protein Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT282 Individual Protein MAP kinase ERK2 Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT55 Individual Protein Putative fructose-1,6-bisphosphate aldolase Giardia intestinalis Potency = 15811.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 25118.9 nM PubChem BioAssay data set
NPT58 Individual Protein Bloom syndrome protein Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT532 Individual Protein Lysine-specific demethylase 4A Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT443 Individual Protein Histone acetyltransferase GCN5 Homo sapiens Potency 25118.9 nM PubChem BioAssay data set
NPT4 Individual Protein Large T antigen Simian virus 40 IC50 26100 nM PubChem BioAssay data set
NPT1139 Individual Protein Arachidonate 15-lipoxygenase, type II Homo sapiens Potency 22387.2 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 18100 nM 21388808
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 10000 nM PubChem BioAssay data set
NPT546 Individual Protein Retinoid X receptor alpha Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT546 Individual Protein Retinoid X receptor alpha Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT108 Individual Protein Estrogen receptor alpha Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT108 Individual Protein Estrogen receptor alpha Homo sapiens Potency 25118.9 nM PubChem BioAssay data set
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens Potency 22387.2 nM PubChem BioAssay data set
NPT540 Individual Protein Bile acid receptor FXR Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT540 Individual Protein Bile acid receptor FXR Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT803 Individual Protein Flap endonuclease 1 Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT8 Individual Protein DNA polymerase iota Homo sapiens Potency 794.3 nM PubChem BioAssay data set
NPT3938 Individual Protein Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 Homo sapiens IC50 = 4823 nM PubChem BioAssay data set
NPT98 Individual Protein HERG Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT99 Individual Protein Peroxisome proliferator-activated receptor gamma Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT99 Individual Protein Peroxisome proliferator-activated receptor gamma Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT199 Individual Protein DNA polymerase kappa Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT99 Individual Protein Peroxisome proliferator-activated receptor gamma Homo sapiens Potency 17782.8 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT540 Individual Protein Bile acid receptor FXR Homo sapiens Potency 22387.2 nM PubChem BioAssay data set
NPT540 Individual Protein Bile acid receptor FXR Homo sapiens Potency 17782.8 nM PubChem BioAssay data set
NPT249 Individual Protein Glucocorticoid receptor Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT249 Individual Protein Glucocorticoid receptor Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 22387.2 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 12589.3 nM PubChem BioAssay data set
NPT699 Individual Protein UDP-glucuronosyltransferase 1-10 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT695 Individual Protein UDP-glucuronosyltransferase 1-8 Homo sapiens Activity = 11 pm/min/mg 10836148
NPT704 Individual Protein UDP-glucuronosyltransferase 2B15 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT904 Individual Protein UDP-glucuronosyltransferase 2B17 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT701 Individual Protein UDP-glucuronosyltransferase 2B4 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT367 Cell Line MDA-N Homo sapiens GI50 19952.62 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 20844.91 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT367 Cell Line MDA-N Homo sapiens GI50 60673.63 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 29308.93 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 17906.06 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 15631.48 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 37757.22 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 14288.94 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 22080.05 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 52360.04 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 34119.29 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 27989.81 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 15066.07 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 26001.6 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 44360.86 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 29991.63 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 27605.78 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 40271.7 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 18281 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 17378.01 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 32583.67 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 21978.6 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 19010.78 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 28183.83 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 37153.52 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 21527.82 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 29241.52 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 21281.39 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 54325.03 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 40179.08 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 41304.75 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 50003.45 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 20701.41 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 56493.7 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 58748.94 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 24322.04 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 14621.77 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 42266.86 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 28248.8 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 23442.29 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 33573.76 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 26977.39 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 42364.3 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 68076.94 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 40457.59 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 24378.11 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 25468.3 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 17258.38 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 30408.85 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 28054.34 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 22855.99 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 58748.94 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 23604.78 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 31988.95 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 31332.86 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 29512.09 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 28444.61 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 28906.8 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 53951.06 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 28444.61 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 21527.82 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 18365.38 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 25292.98 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 22233.1 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 24603.68 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 66069.34 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 19815.27 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 30408.85 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 23496.33 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 46451.53 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 18365.38 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 35974.93 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 44463.13 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 36559.48 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 19952.62 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 30199.52 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 26181.83 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 23878.11 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 33651.16 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 19952.62 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 40271.7 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 31045.6 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 35318.32 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 38636.7 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 18197.01 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 37497.3 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 22130.95 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 22594.36 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 26730.06 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 40738.03 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 37239.17 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 39994.47 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 33342.64 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 49317.38 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 28313.92 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 27669.42 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 31841.98 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 21877.62 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 63533.09 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 37068.07 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 21627.19 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 46131.76 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 27039.58 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 54325.03 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 23713.74 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 26001.6 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 46881.34 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 25527.01 nM PubChem BioAssay data set
NPT745 Individual Protein G-protein coupled bile acid receptor 1 Homo sapiens EC50 = 5000 nM 24900463
NPT748 Individual Protein Bile acid transporter Homo sapiens Activity = 63 % 8132774
NPT1028 Individual Protein Multidrug resistance-associated protein 4 Homo sapiens Activity = 68 % 12883481
NPT10 Individual Protein Geminin Homo sapiens Potency 10322.5 nM PubChem BioAssay data set
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT539 Individual Protein Cellular tumor antigen p53 Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 19331.2 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 26603.2 nM PubChem BioAssay data set
NPT539 Individual Protein Cellular tumor antigen p53 Homo sapiens Potency 31622.8 nM PubChem BioAssay data set
NPT102 Individual Protein Interleukin-8 Homo sapiens Potency 74978 nM PubChem BioAssay data set
NPT103 Individual Protein Nuclear receptor ROR-gamma Homo sapiens Potency 74978 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 > 10000 nM 23330053
NPT2 Others Unspecified Ratio IC50 = 1.6 23067554
NPT1210 Individual Protein T-cell protein-tyrosine phosphatase Homo sapiens IC50 = 20450 nM 23067554
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens IC50 = 12740 nM 23067554
NPT3225 Individual Protein Ephrin type-A receptor 2 Homo sapiens IC50 = 50000 nM 23489211
NPT3225 Individual Protein Ephrin type-A receptor 2 Homo sapiens IC50 = 57543.99 nM 23489211
NPT920 Individual Protein Alpha-synuclein Homo sapiens Potency 5011.9 nM PubChem BioAssay data set
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 60.21 % 23571415
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 6.612 % 23571415
NPT2 Others Unspecified Ratio EC50 > 1000 24900622
NPT2 Others Unspecified Ratio EC50 = 1.1 24900622
NPT2 Others Unspecified Ratio EC50 = 13.9 24900622
NPT2 Others Unspecified Ratio EC50 = 0.6 24900622
NPT2 Others Unspecified Ratio EC50 = 39.1 24900622
NPT745 Individual Protein G-protein coupled bile acid receptor 1 Homo sapiens EC50 = 730 nM 24900622
NPT492 Cell Line Caco-2 Homo sapiens IC50 = 56000 nM 24332653
NPT2 Others Unspecified IC50 = 23000 nM 24332653
NPT2 Others Unspecified Activity = 5 % 24461290
NPT2 Others Unspecified IC50 = 9 ug/ml 24461290
NPT2 Others Unspecified Potency 19417.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61652.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21786.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54947.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1949.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 27195 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 27306 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54726 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 35481.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 31622.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 60882 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 61130.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 9731.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54482.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61130.6 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 60882 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 30637.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 48972.2 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 54947.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15423.9 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 19417.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 17158.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24544.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 68589.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 68310.7 nM PubChem BioAssay data set
NPT831 Individual Protein Serine/threonine-protein kinase PLK1 Homo sapiens Potency 21192.3 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 68589.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 43646.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 19496.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 17305.9 nM PubChem BioAssay data set
NPT162 Individual Protein Heat shock protein beta-1 Homo sapiens Potency 61403.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24445.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4347 nM PubChem BioAssay data set
NPT162 Individual Protein Heat shock protein beta-1 Homo sapiens Potency 61652.4 nM PubChem BioAssay data set
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 48557.7 nM PubChem BioAssay data set
NPT446 Individual Protein Rap guanine nucleotide exchange factor 3 Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT540 Individual Protein Bile acid receptor FXR Homo sapiens Inhibition = 82.3 % 24775917
NPT540 Individual Protein Bile acid receptor FXR Homo sapiens IC50 = 18.3 nM 24775917
NPT540 Individual Protein Bile acid receptor FXR Homo sapiens Inhibition = 16.1 % 24775917
NPT2615 Cell Line HEK-293T Homo sapiens Inhibition < 5 % 24775917
NPT198 Individual Protein Vitamin D receptor Homo sapiens Kd = 330 nM 24818857
NPT198 Individual Protein Vitamin D receptor Homo sapiens Kd = 9520 nM 24818857
NPT198 Individual Protein Vitamin D receptor Homo sapiens Kd = 18870 nM 24818857
NPT198 Individual Protein Vitamin D receptor Homo sapiens Activity = 48 % 24818857
NPT745 Individual Protein G-protein coupled bile acid receptor 1 Homo sapiens EC50 = 680 nM 25735208
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 54726 nM PubChem BioAssay data set
NPT74 Individual Protein Proto-oncogene c-JUN Homo sapiens Potency 6889.6 nM PubChem BioAssay data set
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 61652.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61403.5 nM PubChem BioAssay data set
NPT74 Individual Protein Proto-oncogene c-JUN Homo sapiens Potency 19496.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 38743 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 76645.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 48774.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 707.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7761.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 30513.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21875.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 48360.3 nM PubChem BioAssay data set
NPT757 Organism Plasmodium falciparum 3D7 Plasmodium falciparum 3D7 IC50 = 26900 nM 26063305
NPT2 Others Unspecified Inhibition = 98 % 26063305
NPT2 Others Unspecified Inhibition = 22 % 26063305
NPT471 Organism Trypanosoma brucei brucei Trypanosoma brucei brucei Inhibition = 100 % 26063305
NPT471 Organism Trypanosoma brucei brucei Trypanosoma brucei brucei Inhibition = 5 % 26063305
NPT757 Organism Plasmodium falciparum 3D7 Plasmodium falciparum 3D7 Inhibition = 100 % 26063305
NPT757 Organism Plasmodium falciparum 3D7 Plasmodium falciparum 3D7 Inhibition = 85 % 26063305
NPT5655 Individual Protein CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1 Homo sapiens IC50 = 21000 nM 10.1039/C4MD00086B
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 81100 nM 25685308
NPT2 Others Unspecified IC50 = 173100 nM 25685308
NPT2 Others Unspecified IC50 = 97400 nM 25685308
NPT393 Cell Line HCT-116 Homo sapiens Activity = 8.88 % 25685308
NPT393 Cell Line HCT-116 Homo sapiens Activity = 11.54 % 25685308
NPT393 Cell Line HCT-116 Homo sapiens Activity = 13.15 % 25685308
NPT393 Cell Line HCT-116 Homo sapiens Activity = 10.21 % 25685308
NPT393 Cell Line HCT-116 Homo sapiens Activity = 18.79 % 25685308
NPT393 Cell Line HCT-116 Homo sapiens Activity = 21.89 % 25685308
NPT5656 Protein-Protein Interaction Tumour suppressor protein p53/Mdm4 Homo sapiens Kd = 15000 nM 10.1039/C4MD00328D
NPT198 Individual Protein Vitamin D receptor Homo sapiens EC50 > 50000 nM 26774929
NPT198 Individual Protein Vitamin D receptor Homo sapiens IC50 = 13600 nM 26774929
NPT198 Individual Protein Vitamin D receptor Homo sapiens EC50 = 2140 nM 26774929
NPT198 Individual Protein Vitamin D receptor Homo sapiens IC50 = 46700 nM 26774929
NPT2 Others Unspecified LD50 = 55.9 nM 26774929
NPT198 Individual Protein Vitamin D receptor Homo sapiens Activity = 6 % 26774929

  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 NPC280026 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 NPC167702
0.9855 High Similarity NPC212733
0.9714 High Similarity NPC4209
0.9577 High Similarity NPC143133
0.9577 High Similarity NPC207010
0.9577 High Similarity NPC298168
0.9577 High Similarity NPC317913
0.9444 High Similarity NPC80089
0.9444 High Similarity NPC324700
0.9444 High Similarity NPC185465
0.9444 High Similarity NPC171426
0.9444 High Similarity NPC34046
0.9444 High Similarity NPC224802
0.942 High Similarity NPC58057
0.942 High Similarity NPC151018
0.942 High Similarity NPC320549
0.942 High Similarity NPC156277
0.9412 High Similarity NPC319671
0.9412 High Similarity NPC469941
0.9412 High Similarity NPC252032
0.9412 High Similarity NPC476734
0.9315 High Similarity NPC201276
0.9315 High Similarity NPC320144
0.9315 High Similarity NPC80891
0.9286 High Similarity NPC232112
0.9275 High Similarity NPC477929
0.9178 High Similarity NPC329117
0.9155 High Similarity NPC254340
0.913 High Similarity NPC213178
0.913 High Similarity NPC6120
0.913 High Similarity NPC131892
0.913 High Similarity NPC327728
0.9067 High Similarity NPC58631
0.9067 High Similarity NPC12933
0.9028 High Similarity NPC195155
0.9028 High Similarity NPC273366
0.9028 High Similarity NPC97534
0.9028 High Similarity NPC174964
0.9 High Similarity NPC477850
0.8971 High Similarity NPC42060
0.8947 High Similarity NPC61107
0.8947 High Similarity NPC30583
0.8947 High Similarity NPC121121
0.8947 High Similarity NPC289486
0.8933 High Similarity NPC477851
0.8933 High Similarity NPC261616
0.8904 High Similarity NPC475742
0.8904 High Similarity NPC472486
0.8904 High Similarity NPC5767
0.8904 High Similarity NPC472487
0.8889 High Similarity NPC477930
0.8873 High Similarity NPC89310
0.8873 High Similarity NPC469940
0.8857 High Similarity NPC196197
0.8857 High Similarity NPC64466
0.8784 High Similarity NPC221420
0.8784 High Similarity NPC180199
0.8784 High Similarity NPC23884
0.8784 High Similarity NPC475031
0.8784 High Similarity NPC477919
0.8767 High Similarity NPC21220
0.8767 High Similarity NPC472311
0.8767 High Similarity NPC125767
0.875 High Similarity NPC310766
0.8732 High Similarity NPC108131
0.8718 High Similarity NPC471044
0.8718 High Similarity NPC473336
0.8696 High Similarity NPC268736
0.8696 High Similarity NPC477931
0.8667 High Similarity NPC476732
0.8667 High Similarity NPC199965
0.8649 High Similarity NPC477932
0.8649 High Similarity NPC477933
0.863 High Similarity NPC133922
0.8608 High Similarity NPC294438
0.8608 High Similarity NPC264317
0.8592 High Similarity NPC324607
0.8592 High Similarity NPC321732
0.8592 High Similarity NPC474962
0.8571 High Similarity NPC130459
0.8571 High Similarity NPC474221
0.8571 High Similarity NPC478180
0.8533 High Similarity NPC477918
0.8533 High Similarity NPC474404
0.8529 High Similarity NPC114891
0.8514 High Similarity NPC477934
0.8514 High Similarity NPC159789
0.85 High Similarity NPC472272
0.85 High Similarity NPC302111
0.85 High Similarity NPC12774
0.85 High Similarity NPC2783
0.8481 Intermediate Similarity NPC319909
0.8442 Intermediate Similarity NPC470609
0.8421 Intermediate Similarity NPC472608
0.8421 Intermediate Similarity NPC26029
0.8395 Intermediate Similarity NPC33768
0.8395 Intermediate Similarity NPC252714
0.8395 Intermediate Similarity NPC264005
0.8395 Intermediate Similarity NPC269360
0.8382 Intermediate Similarity NPC148174
0.8382 Intermediate Similarity NPC218585
0.8382 Intermediate Similarity NPC71460
0.8378 Intermediate Similarity NPC472854
0.8356 Intermediate Similarity NPC473267
0.8354 Intermediate Similarity NPC245866
0.8333 Intermediate Similarity NPC48756
0.8333 Intermediate Similarity NPC280781
0.8333 Intermediate Similarity NPC469745
0.8312 Intermediate Similarity NPC472310
0.831 Intermediate Similarity NPC41542
0.8293 Intermediate Similarity NPC471900
0.8293 Intermediate Similarity NPC474719
0.8293 Intermediate Similarity NPC146937
0.8293 Intermediate Similarity NPC16377
0.8289 Intermediate Similarity NPC264602
0.8286 Intermediate Similarity NPC230047
0.8286 Intermediate Similarity NPC19311
0.8267 Intermediate Similarity NPC27349
0.8267 Intermediate Similarity NPC24014
0.8243 Intermediate Similarity NPC477229
0.8243 Intermediate Similarity NPC282905
0.8243 Intermediate Similarity NPC68426
0.8228 Intermediate Similarity NPC317066
0.8228 Intermediate Similarity NPC328007
0.8228 Intermediate Similarity NPC268040
0.8228 Intermediate Similarity NPC477935
0.8219 Intermediate Similarity NPC476731
0.8205 Intermediate Similarity NPC472853
0.8194 Intermediate Similarity NPC473225
0.8193 Intermediate Similarity NPC57954
0.8193 Intermediate Similarity NPC24705
0.8193 Intermediate Similarity NPC213832
0.8193 Intermediate Similarity NPC220498
0.8193 Intermediate Similarity NPC56962
0.8182 Intermediate Similarity NPC243594
0.8182 Intermediate Similarity NPC31031
0.8171 Intermediate Similarity NPC474684
0.8171 Intermediate Similarity NPC142361
0.8169 Intermediate Similarity NPC142712
0.8158 Intermediate Similarity NPC471046
0.8143 Intermediate Similarity NPC167995
0.8143 Intermediate Similarity NPC281540
0.8143 Intermediate Similarity NPC69149
0.8143 Intermediate Similarity NPC159654
0.8143 Intermediate Similarity NPC118937
0.8133 Intermediate Similarity NPC168511
0.8133 Intermediate Similarity NPC130011
0.8133 Intermediate Similarity NPC159325
0.8125 Intermediate Similarity NPC259173
0.8125 Intermediate Similarity NPC471037
0.8125 Intermediate Similarity NPC475726
0.8125 Intermediate Similarity NPC327451
0.8125 Intermediate Similarity NPC472743
0.8108 Intermediate Similarity NPC126642
0.8108 Intermediate Similarity NPC472309
0.8101 Intermediate Similarity NPC476071
0.8095 Intermediate Similarity NPC77756
0.8095 Intermediate Similarity NPC169933
0.8077 Intermediate Similarity NPC220379
0.8072 Intermediate Similarity NPC4309
0.8056 Intermediate Similarity NPC475884
0.8056 Intermediate Similarity NPC48079
0.8056 Intermediate Similarity NPC473230
0.8056 Intermediate Similarity NPC472984
0.8052 Intermediate Similarity NPC212453
0.8052 Intermediate Similarity NPC66105
0.8052 Intermediate Similarity NPC471151
0.8049 Intermediate Similarity NPC55309
0.8049 Intermediate Similarity NPC92139
0.8049 Intermediate Similarity NPC80590
0.8049 Intermediate Similarity NPC155011
0.8049 Intermediate Similarity NPC70661
0.8049 Intermediate Similarity NPC28252
0.8028 Intermediate Similarity NPC473276
0.8028 Intermediate Similarity NPC474380
0.8028 Intermediate Similarity NPC41577
0.8026 Intermediate Similarity NPC179858
0.8026 Intermediate Similarity NPC267753
0.8025 Intermediate Similarity NPC264665
0.8025 Intermediate Similarity NPC474996
0.8025 Intermediate Similarity NPC474233
0.8025 Intermediate Similarity NPC74595
0.8025 Intermediate Similarity NPC475745
0.8025 Intermediate Similarity NPC263974
0.8025 Intermediate Similarity NPC50438
0.8025 Intermediate Similarity NPC474482
0.8025 Intermediate Similarity NPC473299
0.8 Intermediate Similarity NPC311642
0.8 Intermediate Similarity NPC52756
0.8 Intermediate Similarity NPC164289
0.8 Intermediate Similarity NPC477936
0.8 Intermediate Similarity NPC475416
0.8 Intermediate Similarity NPC242771
0.8 Intermediate Similarity NPC13494
0.8 Intermediate Similarity NPC100366
0.8 Intermediate Similarity NPC81759
0.8 Intermediate Similarity NPC170985
0.7976 Intermediate Similarity NPC247312
0.7976 Intermediate Similarity NPC474704
0.7976 Intermediate Similarity NPC475921

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC280026 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 NPD6113 Clinical (unspecified phase)
0.9714 High Similarity NPD6117 Approved
0.9577 High Similarity NPD6116 Phase 1
0.9444 High Similarity NPD6114 Approved
0.9444 High Similarity NPD6697 Approved
0.9444 High Similarity NPD6115 Approved
0.9444 High Similarity NPD6118 Approved
0.942 High Similarity NPD4808 Clinical (unspecified phase)
0.942 High Similarity NPD4809 Clinical (unspecified phase)
0.913 High Similarity NPD3699 Clinical (unspecified phase)
0.913 High Similarity NPD3700 Clinical (unspecified phase)
0.8732 High Similarity NPD4245 Approved
0.8732 High Similarity NPD4244 Approved
0.8732 High Similarity NPD4789 Approved
0.8714 High Similarity NPD5360 Phase 3
0.8714 High Similarity NPD5361 Clinical (unspecified phase)
0.8696 High Similarity NPD4224 Phase 2
0.8611 High Similarity NPD6081 Approved
0.8608 High Similarity NPD7520 Clinical (unspecified phase)
0.8592 High Similarity NPD3698 Phase 2
0.8551 High Similarity NPD3171 Clinical (unspecified phase)
0.8514 High Similarity NPD3703 Phase 2
0.8356 Intermediate Similarity NPD5777 Approved
0.8267 Intermediate Similarity NPD3702 Approved
0.8182 Intermediate Similarity NPD3671 Phase 1
0.8108 Intermediate Similarity NPD4758 Discontinued
0.7838 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.7791 Intermediate Similarity NPD8034 Phase 2
0.7791 Intermediate Similarity NPD8035 Phase 2
0.7733 Intermediate Similarity NPD4787 Phase 1
0.7722 Intermediate Similarity NPD5364 Discontinued
0.759 Intermediate Similarity NPD4786 Approved
0.7571 Intermediate Similarity NPD3198 Approved
0.747 Intermediate Similarity NPD4788 Approved
0.7391 Intermediate Similarity NPD8418 Phase 2
0.7356 Intermediate Similarity NPD5328 Approved
0.7349 Intermediate Similarity NPD3667 Approved
0.7303 Intermediate Similarity NPD6399 Phase 3
0.7209 Intermediate Similarity NPD3618 Phase 1
0.7191 Intermediate Similarity NPD7515 Phase 2
0.7191 Intermediate Similarity NPD6079 Approved
0.7108 Intermediate Similarity NPD6928 Phase 2
0.7101 Intermediate Similarity NPD3729 Clinical (unspecified phase)
0.6977 Remote Similarity NPD3665 Phase 1
0.6977 Remote Similarity NPD3133 Approved
0.6977 Remote Similarity NPD3666 Approved
0.6923 Remote Similarity NPD4202 Approved
0.6915 Remote Similarity NPD7638 Approved
0.6905 Remote Similarity NPD7525 Registered
0.6854 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6848 Remote Similarity NPD7748 Approved
0.6842 Remote Similarity NPD7640 Approved
0.6842 Remote Similarity NPD7639 Approved
0.6837 Remote Similarity NPD6675 Approved
0.6837 Remote Similarity NPD7128 Approved
0.6837 Remote Similarity NPD5739 Approved
0.6837 Remote Similarity NPD6402 Approved
0.6818 Remote Similarity NPD6684 Approved
0.6818 Remote Similarity NPD7521 Approved
0.6818 Remote Similarity NPD6409 Approved
0.6818 Remote Similarity NPD7334 Approved
0.6818 Remote Similarity NPD5330 Approved
0.6818 Remote Similarity NPD7146 Approved
0.6809 Remote Similarity NPD6083 Phase 2
0.6809 Remote Similarity NPD6084 Phase 2
0.6735 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6707 Remote Similarity NPD7339 Approved
0.6707 Remote Similarity NPD6942 Approved
0.6702 Remote Similarity NPD4697 Phase 3
0.6702 Remote Similarity NPD5222 Approved
0.6702 Remote Similarity NPD5221 Approved
0.6702 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6701 Remote Similarity NPD7632 Discontinued
0.67 Remote Similarity NPD6881 Approved
0.67 Remote Similarity NPD6899 Approved
0.67 Remote Similarity NPD7320 Approved
0.6667 Remote Similarity NPD6903 Approved
0.6667 Remote Similarity NPD3617 Approved
0.6667 Remote Similarity NPD5737 Approved
0.6667 Remote Similarity NPD6672 Approved
0.6634 Remote Similarity NPD6372 Approved
0.6634 Remote Similarity NPD6373 Approved
0.6632 Remote Similarity NPD7902 Approved
0.6632 Remote Similarity NPD4755 Approved
0.6632 Remote Similarity NPD5173 Approved
0.6629 Remote Similarity NPD5279 Phase 3
0.662 Remote Similarity NPD615 Clinical (unspecified phase)
0.66 Remote Similarity NPD5701 Approved
0.66 Remote Similarity NPD5697 Approved
0.6593 Remote Similarity NPD4753 Phase 2
0.6591 Remote Similarity NPD3668 Phase 3
0.6582 Remote Similarity NPD6705 Phase 1
0.6569 Remote Similarity NPD7290 Approved
0.6569 Remote Similarity NPD7102 Approved
0.6569 Remote Similarity NPD6883 Approved
0.6552 Remote Similarity NPD4221 Approved
0.6552 Remote Similarity NPD4223 Phase 3
0.6538 Remote Similarity NPD8298 Phase 2
0.6535 Remote Similarity NPD6011 Approved
0.6517 Remote Similarity NPD5329 Approved
0.6505 Remote Similarity NPD6649 Approved
0.6505 Remote Similarity NPD6869 Approved
0.6505 Remote Similarity NPD6847 Approved
0.6505 Remote Similarity NPD6617 Approved
0.6505 Remote Similarity NPD6650 Approved
0.6505 Remote Similarity NPD8130 Phase 1
0.6505 Remote Similarity NPD6401 Clinical (unspecified phase)
0.65 Remote Similarity NPD6920 Discontinued
0.6495 Remote Similarity NPD4696 Approved
0.6495 Remote Similarity NPD5285 Approved
0.6495 Remote Similarity NPD4700 Approved
0.6495 Remote Similarity NPD5286 Approved
0.6494 Remote Similarity NPD7909 Approved
0.6471 Remote Similarity NPD6013 Approved
0.6471 Remote Similarity NPD6014 Approved
0.6471 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6471 Remote Similarity NPD6012 Approved
0.6444 Remote Similarity NPD6098 Approved
0.6442 Remote Similarity NPD6882 Approved
0.6442 Remote Similarity NPD8297 Approved
0.6437 Remote Similarity NPD4692 Approved
0.6437 Remote Similarity NPD4139 Approved
0.6429 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6429 Remote Similarity NPD5223 Approved
0.6421 Remote Similarity NPD5695 Phase 3
0.6415 Remote Similarity NPD6940 Discontinued
0.6404 Remote Similarity NPD4197 Approved
0.6392 Remote Similarity NPD5696 Approved
0.6381 Remote Similarity NPD8133 Approved
0.6373 Remote Similarity NPD6415 Discontinued
0.6364 Remote Similarity NPD4633 Approved
0.6364 Remote Similarity NPD5211 Phase 2
0.6364 Remote Similarity NPD5224 Approved
0.6364 Remote Similarity NPD5226 Approved
0.6364 Remote Similarity NPD5225 Approved
0.6322 Remote Similarity NPD4748 Discontinued
0.6316 Remote Similarity NPD7900 Approved
0.6316 Remote Similarity NPD7901 Clinical (unspecified phase)
0.63 Remote Similarity NPD5174 Approved
0.63 Remote Similarity NPD4754 Approved
0.63 Remote Similarity NPD5175 Approved
0.6279 Remote Similarity NPD4802 Phase 2
0.6279 Remote Similarity NPD4238 Approved
0.6277 Remote Similarity NPD5281 Approved
0.6277 Remote Similarity NPD5284 Approved
0.6264 Remote Similarity NPD4138 Approved
0.6264 Remote Similarity NPD4690 Approved
0.6264 Remote Similarity NPD4688 Approved
0.6264 Remote Similarity NPD4689 Approved
0.6264 Remote Similarity NPD4693 Phase 3
0.6264 Remote Similarity NPD5205 Approved
0.6264 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6262 Remote Similarity NPD6868 Approved
0.625 Remote Similarity NPD5210 Approved
0.625 Remote Similarity NPD6356 Clinical (unspecified phase)
0.625 Remote Similarity NPD4629 Approved
0.6238 Remote Similarity NPD5141 Approved
0.6237 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6237 Remote Similarity NPD6904 Approved
0.6237 Remote Similarity NPD6673 Approved
0.6237 Remote Similarity NPD6080 Approved
0.6226 Remote Similarity NPD4632 Approved
0.6211 Remote Similarity NPD8171 Discontinued
0.6207 Remote Similarity NPD7645 Phase 2
0.6204 Remote Similarity NPD7115 Discovery
0.619 Remote Similarity NPD6924 Approved
0.619 Remote Similarity NPD6926 Approved
0.6176 Remote Similarity NPD4767 Approved
0.6176 Remote Similarity NPD4768 Approved
0.6176 Remote Similarity NPD634 Phase 3
0.617 Remote Similarity NPD6700 Approved
0.617 Remote Similarity NPD6701 Clinical (unspecified phase)
0.6147 Remote Similarity NPD6335 Approved
0.6129 Remote Similarity NPD5208 Approved
0.6125 Remote Similarity NPD375 Phase 2
0.6111 Remote Similarity NPD3186 Phase 1
0.6111 Remote Similarity NPD6274 Approved
0.6105 Remote Similarity NPD6703 Approved
0.6105 Remote Similarity NPD6702 Approved
0.6105 Remote Similarity NPD6411 Approved
0.61 Remote Similarity NPD1700 Approved
0.6098 Remote Similarity NPD3725 Approved
0.6098 Remote Similarity NPD3726 Approved
0.6091 Remote Similarity NPD7101 Approved
0.6091 Remote Similarity NPD7100 Approved
0.6087 Remote Similarity NPD5280 Approved
0.6087 Remote Similarity NPD384 Approved
0.6087 Remote Similarity NPD385 Approved
0.6087 Remote Similarity NPD4694 Approved
0.6087 Remote Similarity NPD5690 Phase 2
0.6058 Remote Similarity NPD5168 Approved
0.6058 Remote Similarity NPD4730 Approved
0.6058 Remote Similarity NPD4729 Approved
0.6058 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6058 Remote Similarity NPD5128 Approved
0.6055 Remote Similarity NPD6317 Approved
0.6055 Remote Similarity NPD6009 Approved
0.6047 Remote Similarity NPD6933 Approved
0.6019 Remote Similarity NPD6008 Approved
0.6 Remote Similarity NPD4061 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   9903
ChEMBL   CHEMBL1478
ZINC  

Physicochemical Properties

Molecular Weight:  376.30
ALogP:  0.873
MLogP:  3.77
XLogP:  8.263
# Rotatable Bonds:  9
Polar Surface Area:  57.53
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  27

Download Data

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Structure MOL file  
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Biological Activities  
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