Structure

Physi-Chem Properties

Molecular Weight:  248.14
Volume:  260.788
LogP:  2.964
LogD:  2.818
LogS:  -3.95
# Rotatable Bonds:  0
TPSA:  38.83
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  3

MedChem Properties

QED Drug-Likeness Score:  0.286
Synthetic Accessibility Score:  4.723
Fsp3:  0.667
Lipinski Rule-of-5:  Accepted
Pfizer Rule:  Accepted
GSK Rule:  Accepted
BMS Rule:  2
Golden Triangle Rule:  Accepted
Chelating Alert:  0
PAINS Alert:  0

ADMET Properties (ADMETlab2.0)

ADMET: Absorption

Caco-2 Permeability:  -4.607
MDCK Permeability:  3.074407868552953e-05
Pgp-inhibitor:  0.002
Pgp-substrate:  0.0
Human Intestinal Absorption (HIA):  0.019
20% Bioavailability (F20%):  0.078
30% Bioavailability (F30%):  0.028

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):  0.423
Plasma Protein Binding (PPB):  89.79499816894531%
Volume Distribution (VD):  0.806
Pgp-substrate:  6.493969440460205%

ADMET: Metabolism

CYP1A2-inhibitor:  0.427
CYP1A2-substrate:  0.375
CYP2C19-inhibitor:  0.238
CYP2C19-substrate:  0.312
CYP2C9-inhibitor:  0.159
CYP2C9-substrate:  0.072
CYP2D6-inhibitor:  0.098
CYP2D6-substrate:  0.196
CYP3A4-inhibitor:  0.216
CYP3A4-substrate:  0.223

ADMET: Excretion

Clearance (CL):  8.968
Half-life (T1/2):  0.329

ADMET: Toxicity

hERG Blockers:  0.019
Human Hepatotoxicity (H-HT):  0.233
Drug-inuced Liver Injury (DILI):  0.274
AMES Toxicity:  0.153
Rat Oral Acute Toxicity:  0.707
Maximum Recommended Daily Dose:  0.475
Skin Sensitization:  0.898
Carcinogencity:  0.448
Eye Corrosion:  0.971
Eye Irritation:  0.974
Respiratory Toxicity:  0.978

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs  

  Natural Product: NPC50362

Natural Product ID:  NPC50362
Common Name*:   Parthenolide
IUPAC Name:   n.a.
Synonyms:   Parthenolide
Standard InCHIKey:  KTEXNACQROZXEV-SLXBATTESA-N
Standard InCHI:  InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13-,15+/m0/s1
SMILES:  C/C/1=CCC[C@]2(C)[C@H]([C@@H]3[C@@H](CC1)C(=C)C(=O)O3)O2
Synthetic Gene Cluster:   n.a.
ChEMBL Identifier:   CHEMBL540445
PubChem CID:   6473881
Chemical Classification**:  
  • CHEMONTID:0000000 [Organic compounds]
    • [CHEMONTID:0000012] Lipids and lipid-like molecules
      • [CHEMONTID:0000259] Prenol lipids
        • [CHEMONTID:0001283] Terpene lactones
          • [CHEMONTID:0001543] Sesquiterpene lactones
            • [CHEMONTID:0001771] Germacranolides and derivatives

*Note: the InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.
**Note: the Chemical Classification was calculated by NPClassifier Version 1.5. Reference: PMID:34662515.

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO40799 Bovine platelets Species n.a. n.a. n.a. n.a. n.a. PMID[1431933]
NPO9965 Eurycoma longifolia Species Simaroubaceae Eukaryota Roots n.a. n.a. PMID[14575431]
NPO9965 Eurycoma longifolia Species Simaroubaceae Eukaryota n.a. root n.a. PMID[1800638]
NPO33469 Asteraceae Family Asteraceae Eukaryota n.a. n.a. n.a. PMID[18329753]
NPO9965 Eurycoma longifolia Species Simaroubaceae Eukaryota n.a. n.a. n.a. PMID[19299148]
NPO9965 Eurycoma longifolia Species Simaroubaceae Eukaryota roots n.a. n.a. PMID[19299148]
NPO9965 Eurycoma longifolia Species Simaroubaceae Eukaryota n.a. n.a. n.a. PMID[19919052]
NPO15440 Chamaemelum nobile Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[23501116]
NPO40842 Eugenia rigida Species n.a. n.a. n.a. n.a. n.a. PMID[23547843]
NPO9965 Eurycoma longifolia Species Simaroubaceae Eukaryota n.a. n.a. n.a. PMID[24467387]
NPO15440 Chamaemelum nobile Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[24471493]
NPO9965 Eurycoma longifolia Species Simaroubaceae Eukaryota roots n.a. n.a. PMID[25066952]
NPO9965 Eurycoma longifolia Species Simaroubaceae Eukaryota n.a. n.a. n.a. PMID[25905468]
NPO40842 Eugenia rigida Species n.a. n.a. n.a. n.a. n.a. PMID[27618204]
NPO15440 Chamaemelum nobile Species Asteraceae Eukaryota Flowers n.a. n.a. PMID[28116906]
NPO2440 Schkuhria pinnata Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[29244495]
NPO691 Tarchonanthus camphoratus Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[29244495]
NPO12352 Magnolia baillonii Species Magnoliaceae Eukaryota n.a. n.a. n.a. PMID[3437284]
NPO15440 Chamaemelum nobile Species Asteraceae Eukaryota Flower n.a. n.a. Database[FooDB]
NPO15440 Chamaemelum nobile Species Asteraceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO3800 Indigofera arrecta Species Fabaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO9965 Eurycoma longifolia Species Simaroubaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO418 Smilax aristolochiaefolia Species Staphylinidae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO1909 Michelia lanuginosa Species Magnoliaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO3800 Indigofera arrecta Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO2440 Schkuhria pinnata Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO15440 Chamaemelum nobile Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO418 Smilax aristolochiaefolia Species Staphylinidae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO1909 Michelia lanuginosa Species Magnoliaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO9965 Eurycoma longifolia Species Simaroubaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO418 Smilax aristolochiaefolia Species Staphylinidae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO1909 Michelia lanuginosa Species Magnoliaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO691 Tarchonanthus camphoratus Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15440 Chamaemelum nobile Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2440 Schkuhria pinnata Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12352 Magnolia baillonii Species Magnoliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4717 Laserpitium siler Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3800 Indigofera arrecta Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1909 Michelia lanuginosa Species Magnoliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9965 Eurycoma longifolia Species Simaroubaceae Eukaryota n.a. n.a. n.a. Database[UNPD]

☑ Note for Reference:
In addition to directly collecting NP source organism data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated them from below databases:
☉ UNPD: Universal Natural Products Database [PMID: 23638153].
☉ StreptomeDB: a database of streptomycetes natural products [PMID: 33051671].
☉ TM-MC: a database of medicinal materials and chemical compounds in Northeast Asian traditional medicine [PMID: 26156871].
☉ TCM@Taiwan: a Traditional Chinese Medicine database [PMID: 21253603].
☉ TCMID: a Traditional Chinese Medicine database [PMID: 29106634].
☉ TCMSP: The traditional Chinese medicine systems pharmacology database and analysis platform [PMID: 24735618].
☉ HerDing: a herb recommendation system to treat diseases using genes and chemicals [PMID: 26980517].
☉ MetaboLights: a metabolomics database [PMID: 27010336].
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].

  NP Quantity Composition/Concentration

Organism ID NP ID Organism Material Preparation Organism Part NP Quantity (Standard) NP Quantity (Minimum) NP Quantity (Maximum) Quantity Unit Reference

☑ Note for Reference:
In addition to directly collecting NP quantitative data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated NP quantitative records for specific NP domains (e.g., NPS from foods or herbs) from domain-specific databases. These databases include:
☉ DUKE: Dr. Duke's Phytochemical and Ethnobotanical Databases.
☉ PHENOL EXPLORER: is the first comprehensive database on polyphenol content in foods [PMID: 24103452], its homepage can be accessed at here.
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2716 Individual Protein UDP-N-acetylglucosamine 1-carboxyvinyltransferase Escherichia coli K-12 IC50 > 50000.0 nM PMID[459459]
NPT2717 Individual Protein UDP-N-acetylglucosamine 1-carboxyvinyltransferase Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) IC50 = 27800.0 nM PMID[459459]
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 1150.0 nM PMID[459460]
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 5900.0 nM PMID[459462]
NPT492 Cell Line Caco-2 Homo sapiens IC50 = 10400.0 nM PMID[459462]
NPT83 Cell Line MCF7 Homo sapiens IC50 = 9400.0 nM PMID[459462]
NPT116 Cell Line HL-60 Homo sapiens IC50 = 900.0 nM PMID[459462]
NPT466 Cell Line U-937 Homo sapiens IC50 = 2200.0 nM PMID[459462]
NPT15 Cell Line Jurkat Homo sapiens IC50 = 1900.0 nM PMID[459462]
NPT71 Cell Line HEK293 Homo sapiens IC50 = 6600.0 nM PMID[459466]
NPT1778 Individual Protein Serotonin 2a (5-HT2a) receptor Rattus norvegicus Ki = 100000.0 nM PMID[459468]
NPT1778 Individual Protein Serotonin 2a (5-HT2a) receptor Rattus norvegicus Ki = 250000.0 nM PMID[459468]
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 800.0 nM PMID[459469]
NPT91 Cell Line KB Homo sapiens ED50 = 5.3 umol/L PMID[459471]
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 2010.0 nM PMID[459472]
NPT659 Cell Line SMMC-7721 Homo sapiens IC50 = 4.2 ug.mL-1 PMID[459473]
NPT3089 Cell Line SW1353 Homo sapiens IC50 = 4100.0 nM PMID[459476]
NPT461 Cell Line PANC-1 Homo sapiens Activity = 12.0 % PMID[459480]
NPT461 Cell Line PANC-1 Homo sapiens Activity = 132.0 % PMID[459480]
NPT783 Cell Line MIA PaCa-2 Homo sapiens Activity = 3.0 % PMID[459480]
NPT783 Cell Line MIA PaCa-2 Homo sapiens Activity = 78.0 % PMID[459480]
NPT1081 Cell Line BXPC-3 Homo sapiens Activity = 6.0 % PMID[459480]
NPT1081 Cell Line BXPC-3 Homo sapiens Activity = 92.0 % PMID[459480]
NPT116 Cell Line HL-60 Homo sapiens GI50 = 520.0 nM PMID[459483]
NPT116 Cell Line HL-60 Homo sapiens TGI = 1360.0 nM PMID[459483]
NPT116 Cell Line HL-60 Homo sapiens LC50 = 1880.0 nM PMID[459483]
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Inhibition = -5.29 % PMID[459485]
NPT116 Cell Line HL-60 Homo sapiens IC50 = 3700.0 nM PMID[459486]
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 13.0 ug.mL-1 PMID[459487]
NPT270 Individual Protein Nitric oxide synthase, inducible Mus musculus IC50 = 0.4 ug.mL-1 PMID[459487]
NPT3090 Individual Protein Transcription factor Sp1 Homo sapiens IC50 = 7.5 ug.mL-1 PMID[459487]
NPT270 Individual Protein Nitric oxide synthase, inducible Mus musculus IC50 = 8000.0 nM PMID[459490]
NPT1899 Cell Line DSH1 Homo sapiens IC50 = 543256.73 nM PMID[459491]
NPT464 Cell Line Daudi Homo sapiens IC50 = 528181.51 nM PMID[459491]
NPT1900 Cell Line DU-4475 Homo sapiens IC50 = 87361.88 nM PMID[459491]
NPT394 Cell Line EKVX Homo sapiens IC50 = 106406.64 nM PMID[459491]
NPT1901 Cell Line EM-2 Homo sapiens IC50 = 47255.83 nM PMID[459491]
NPT1902 Cell Line ES1 Homo sapiens IC50 = 10154.79 nM PMID[459491]
NPT1905 Cell Line ES4 Homo sapiens IC50 = 414922.19 nM PMID[459491]
NPT1903 Cell Line ES5 Homo sapiens IC50 = 876357.4 nM PMID[459491]
NPT1904 Cell Line ES3 Homo sapiens IC50 = 913934.59 nM PMID[459491]
NPT1906 Cell Line EB-3 Homo sapiens IC50 = 229071.92 nM PMID[459491]
NPT1907 Cell Line EB2 Homo sapiens IC50 = 674838.9 nM PMID[459491]
NPT1908 Cell Line EC-GI-10 Homo sapiens IC50 = 447870.44 nM PMID[459491]
NPT1909 Cell Line ECC12 Homo sapiens IC50 = 158539.69 nM PMID[459491]
NPT1910 Cell Line ECC4 Homo sapiens IC50 = 691880.33 nM PMID[459491]
NPT376 Cell Line A498 Homo sapiens IC50 = 395313.06 nM PMID[459491]
NPT1912 Cell Line COLO-800 Homo sapiens IC50 = 563393.88 nM PMID[459491]
NPT1189 Cell Line DG-75 Homo sapiens IC50 = 1046816.57 nM PMID[459491]
NPT1913 Cell Line DJM-1 Homo sapiens IC50 = 100986.52 nM PMID[459491]
NPT1911 Cell Line C2BBe1 Homo sapiens IC50 = 25040.14 nM PMID[459491]
NPT1914 Cell Line COLO-824 Homo sapiens IC50 = 525194.67 nM PMID[459491]
NPT576 Cell Line DMS-114 Homo sapiens IC50 = 667402.96 nM PMID[459491]
NPT1916 Cell Line ACN Homo sapiens IC50 = 90267.82 nM PMID[459491]
NPT1452 Cell Line C8166 Homo sapiens IC50 = 53070.01 nM PMID[459491]
NPT1917 Cell Line CA46 Homo sapiens IC50 = 399101.59 nM PMID[459491]
NPT1915 Cell Line COLO-829 Homo sapiens IC50 = 85232.77 nM PMID[459491]
NPT1918 Cell Line DMS-79 Homo sapiens IC50 = 627972.26 nM PMID[459491]
NPT1919 Cell Line DOHH-2 Homo sapiens IC50 = 328192.06 nM PMID[459491]
NPT1920 Cell Line ALL-PO Homo sapiens IC50 = 19757.71 nM PMID[459491]
NPT1921 Cell Line COR-L279 Homo sapiens IC50 = 29120.14 nM PMID[459491]
NPT1922 Cell Line COR-L88 Homo sapiens IC50 = 626438.75 nM PMID[459491]
NPT1923 Cell Line DMS-153 Homo sapiens IC50 = 175934.37 nM PMID[459491]
NPT1924 Cell Line AM-38 Homo sapiens IC50 = 61160.65 nM PMID[459491]
NPT1925 Cell Line CAL-148 Homo sapiens IC50 = 946912.79 nM PMID[459491]
NPT1926 Cell Line CP66-MEL Homo sapiens IC50 = 144520.59 nM PMID[459491]
NPT1927 Cell Line ARH-77 Homo sapiens IC50 = 37368.87 nM PMID[459491]
NPT1928 Cell Line ATN-1 Homo sapiens IC50 = 153939.55 nM PMID[459491]
NPT1929 Cell Line CPC-N Homo sapiens IC50 = 38401.98 nM PMID[459491]
NPT1930 Cell Line CTB-1 Homo sapiens IC50 = 3852.93 nM PMID[459491]
NPT1932 Cell Line CTV-1 Homo sapiens IC50 = 74151.33 nM PMID[459491]
NPT1933 Cell Line CW-2 Homo sapiens IC50 = 1179126.28 nM PMID[459491]
NPT1094 Cell Line 697 Homo sapiens IC50 = 464.58 nM PMID[459491]
NPT1931 Cell Line BB30-HNC Homo sapiens IC50 = 39528.7 nM PMID[459491]
NPT1934 Cell Line BB49-HNC Homo sapiens IC50 = 284334.68 nM PMID[459491]
NPT1935 Cell Line BB65-RCC Homo sapiens IC50 = 16825.74 nM PMID[459491]
NPT929 Cell Line BC1 cell line IC50 = 61471.4 nM PMID[459491]
NPT1937 Cell Line CAS-1 Homo sapiens IC50 = 38601.34 nM PMID[459491]
NPT1939 Cell Line 8-MG-BA Homo sapiens IC50 = 21426.6 nM PMID[459491]
NPT1936 Cell Line BC-3 Homo sapiens IC50 = 34350.38 nM PMID[459491]
NPT1940 Cell Line BE-13 Homo sapiens IC50 = 960874.69 nM PMID[459491]
NPT404 Cell Line CCRF-CEM Homo sapiens IC50 = 256000.91 nM PMID[459491]
NPT1938 Cell Line Calu-6 Homo sapiens IC50 = 261104.58 nM PMID[459491]
NPT1941 Cell Line A101D Homo sapiens IC50 = 14202.16 nM PMID[459491]
NPT1942 Cell Line CESS Homo sapiens IC50 = 45815.39 nM PMID[459491]
NPT1943 Cell Line CGTH-W-1 Homo sapiens IC50 = 423694.64 nM PMID[459491]
NPT1944 Cell Line D-247MG Homo sapiens IC50 = 20800.81 nM PMID[459491]
NPT1945 Cell Line CHP-126 Homo sapiens IC50 = 194356.87 nM PMID[459491]
NPT1946 Cell Line D-263MG Homo sapiens IC50 = 447865.96 nM PMID[459491]
NPT1947 Cell Line D283 Med IC50 = 26215.61 nM PMID[459491]
NPT1948 Cell Line A253 cell line IC50 = 455106.29 nM PMID[459491]
NPT1949 Cell Line BL-41 Homo sapiens IC50 = 21572.0 nM PMID[459491]
NPT1950 Cell Line BL-70 Homo sapiens IC50 = 337685.84 nM PMID[459491]
NPT1951 Cell Line CMK Homo sapiens IC50 = 20353.03 nM PMID[459491]
NPT1953 Cell Line D-336MG Homo sapiens IC50 = 52793.02 nM PMID[459491]
NPT1954 Cell Line D-392MG Homo sapiens IC50 = 48444.75 nM PMID[459491]
NPT1955 Cell Line A3-KAW Homo sapiens IC50 = 2288.09 nM PMID[459491]
NPT1952 Cell Line COLO-320-HSR Homo sapiens IC50 = 27502.31 nM PMID[459491]
NPT1956 Cell Line COLO-668 Homo sapiens IC50 = 692503.99 nM PMID[459491]
NPT1957 Cell Line D-502MG Homo sapiens IC50 = 52599.2 nM PMID[459491]
NPT1958 Cell Line A388 Homo sapiens IC50 = 42343.04 nM PMID[459491]
NPT1959 Cell Line A4-Fuk Homo sapiens IC50 = 241504.47 nM PMID[459491]
NPT845 Cell Line BT-474 Homo sapiens IC50 = 960441.43 nM PMID[459491]
NPT1960 Cell Line BV-173 Homo sapiens IC50 = 28130.63 nM PMID[459491]
NPT1961 Cell Line D-542MG Homo sapiens IC50 = 52212.71 nM PMID[459491]
NPT1962 Cell Line DB Homo sapiens IC50 = 1267652.44 nM PMID[459491]
NPT1963 Cell Line Becker Homo sapiens IC50 = 122818.17 nM PMID[459491]
NPT1964 Cell Line COLO-684 Homo sapiens IC50 = 639697.88 nM PMID[459491]
NPT1965 Cell Line DEL Homo sapiens IC50 = 6378.78 nM PMID[459491]
NPT1966 Cell Line NCI-H1838 Homo sapiens IC50 = 651039.29 nM PMID[459491]
NPT1967 Cell Line NCI-H526 Homo sapiens IC50 = 89651.6 nM PMID[459491]
NPT1968 Cell Line OMC-1 Homo sapiens IC50 = 476127.18 nM PMID[459491]
NPT389 Cell Line RPMI-8226 Homo sapiens IC50 = 6970.37 nM PMID[459491]
NPT926 Cell Line SK-MEL-1 Homo sapiens IC50 = 590314.24 nM PMID[459491]
NPT1969 Cell Line TGW Homo sapiens IC50 = 155780.35 nM PMID[459491]
NPT1970 Cell Line THP-1 Homo sapiens IC50 = 1036662.81 nM PMID[459491]
NPT1971 Cell Line GI-1 Homo sapiens IC50 = 73591.17 nM PMID[459491]
NPT1972 Cell Line GI-ME-N Homo sapiens IC50 = 23191.64 nM PMID[459491]
NPT116 Cell Line HL-60 Homo sapiens IC50 = 65325.86 nM PMID[459491]
NPT1973 Cell Line IST-SL1 Homo sapiens IC50 = 164270.75 nM PMID[459491]
NPT1974 Cell Line IST-SL2 Homo sapiens IC50 = 127600.08 nM PMID[459491]
NPT1975 Cell Line KS-1 Homo sapiens IC50 = 5511.3 nM PMID[459491]
NPT1976 Cell Line LNCaP-Clone-FGC Homo sapiens IC50 = 968027.02 nM PMID[459491]
NPT1977 Cell Line LOUCY Homo sapiens IC50 = 34006.82 nM PMID[459491]
NPT2209 Cell Line MFH-ino Homo sapiens IC50 = 63053.84 nM PMID[459491]
NPT1978 Cell Line MFM-223 Homo sapiens IC50 = 1389838.73 nM PMID[459491]
NPT1979 Cell Line NB13 Homo sapiens IC50 = 95764.49 nM PMID[459491]
NPT1980 Cell Line NB14 Homo sapiens IC50 = 122845.57 nM PMID[459491]
NPT639 Cell Line NCI-H187 Homo sapiens IC50 = 271866.19 nM PMID[459491]
NPT1981 Cell Line NCI-H1882 Homo sapiens IC50 = 344958.8 nM PMID[459491]
NPT1982 Cell Line NCI-H1963 Homo sapiens IC50 = 36073.81 nM PMID[459491]
NPT1983 Cell Line NCI-H64 Homo sapiens IC50 = 165387.47 nM PMID[459491]
NPT1984 Cell Line ONS-76 Homo sapiens IC50 = 194681.33 nM PMID[459491]
NPT1986 Cell Line RPMI 8402 Homo sapiens IC50 = 499719.53 nM PMID[459491]
NPT1987 Cell Line RPMI-8866 Homo sapiens IC50 = 543620.83 nM PMID[459491]
NPT147 Cell Line SK-MEL-2 Homo sapiens IC50 = 869911.08 nM PMID[459491]
NPT1988 Cell Line SW684 Homo sapiens IC50 = 200572.75 nM PMID[459491]
NPT384 Cell Line TK-10 Homo sapiens IC50 = 104447.65 nM PMID[459491]
NPT1989 Cell Line GOTO Homo sapiens IC50 = 214599.39 nM PMID[459491]
NPT1990 Cell Line J-RT3-T3-5 Homo sapiens IC50 = 23847.9 nM PMID[459491]
NPT1991 Cell Line KU812 cell line IC50 = 93359.44 nM PMID[459491]
NPT1992 Cell Line KURAMOCHI Homo sapiens IC50 = 129500.27 nM PMID[459491]
NPT390 Cell Line LOX IMVI Homo sapiens IC50 = 567518.87 nM PMID[459491]
NPT1993 Cell Line LP-1 Homo sapiens IC50 = 82375.58 nM PMID[459491]
NPT1994 Cell Line MHH-CALL-2 Homo sapiens IC50 = 506019.9 nM PMID[459491]
NPT1995 Cell Line NB17 Homo sapiens IC50 = 1715.94 nM PMID[459491]
NPT1996 Cell Line NB5 Homo sapiens IC50 = 277908.24 nM PMID[459491]
NPT1396 Cell Line NCI-H69 Homo sapiens IC50 = 676025.64 nM PMID[459491]
NPT1985 Cell Line OPM-2 Homo sapiens IC50 = 64420.96 nM PMID[459491]
NPT1997 Cell Line OS-RC-2 Homo sapiens IC50 = 5420.1 nM PMID[459491]
NPT1998 Cell Line RS4-11 Homo sapiens IC50 = 145758.62 nM PMID[459491]
NPT1999 Cell Line TUR Homo sapiens IC50 = 821866.52 nM PMID[459491]
NPT2000 Cell Line GR-ST Homo sapiens IC50 = 89559.21 nM PMID[459491]
NPT379 Cell Line HOP-62 Homo sapiens IC50 = 37162.57 nM PMID[459491]
NPT2001 Cell Line JAR Homo sapiens IC50 = 998765.48 nM PMID[459491]
NPT2002 Cell Line KY821 Homo sapiens IC50 = 78811.03 nM PMID[459491]
NPT2003 Cell Line LS-1034 Homo sapiens IC50 = 314170.87 nM PMID[459491]
NPT2004 Cell Line LS-123 Homo sapiens IC50 = 278841.91 nM PMID[459491]
NPT2005 Cell Line MHH-NB-11 Homo sapiens IC50 = 38736.84 nM PMID[459491]
NPT2006 Cell Line MHH-PREB-1 Homo sapiens IC50 = 14434.02 nM PMID[459491]
NPT2007 Cell Line NB6 Homo sapiens IC50 = 371892.19 nM PMID[459491]
NPT2008 Cell Line NB69 Homo sapiens IC50 = 741412.39 nM PMID[459491]
NPT2009 Cell Line NCI-H2081 Homo sapiens IC50 = 442147.26 nM PMID[459491]
NPT2010 Cell Line NCI-H716 Homo sapiens IC50 = 507039.04 nM PMID[459491]
NPT2011 Cell Line NCI-H719 Homo sapiens IC50 = 714474.28 nM PMID[459491]
NPT2012 Cell Line NCI-H720 Homo sapiens IC50 = 11081.39 nM PMID[459491]
NPT456 Cell Line OVCAR-4 Homo sapiens IC50 = 6188.35 nM PMID[459491]
NPT406 Cell Line RXF 393 Homo sapiens IC50 = 176796.26 nM PMID[459491]
NPT2013 Cell Line SK-MM-2 Homo sapiens IC50 = 49421.67 nM PMID[459491]
NPT2014 Cell Line SW872 Homo sapiens IC50 = 28114.04 nM PMID[459491]
NPT2015 Cell Line U-266 Homo sapiens IC50 = 415594.07 nM PMID[459491]
NPT2016 Cell Line ES6 Homo sapiens IC50 = 282994.94 nM PMID[459491]
NPT2017 Cell Line ES7 Homo sapiens IC50 = 429904.46 nM PMID[459491]
NPT2018 Cell Line GT3TKB Homo sapiens IC50 = 414641.79 nM PMID[459491]
NPT2019 Cell Line JVM-2 Homo sapiens IC50 = 657463.34 nM PMID[459491]
NPT2020 Cell Line JVM-3 Homo sapiens IC50 = 338598.83 nM PMID[459491]
NPT2021 Cell Line LS-411N Homo sapiens IC50 = 72933.57 nM PMID[459491]
NPT2022 Cell Line LS-513 Homo sapiens IC50 = 31028.34 nM PMID[459491]
NPT2023 Cell Line NB7 Homo sapiens IC50 = 106809.41 nM PMID[459491]
NPT2024 Cell Line NCI-H209 Homo sapiens IC50 = 1004476.71 nM PMID[459491]
NPT2025 Cell Line NCI-H747 Homo sapiens IC50 = 42926.23 nM PMID[459491]
NPT80 Cell Line Raji Homo sapiens IC50 = 26686.08 nM PMID[459491]
NPT2026 Cell Line Ramos-2G6-4C10 Homo sapiens IC50 = 369825.77 nM PMID[459491]
NPT2027 Cell Line SK-N-DZ Homo sapiens IC50 = 4651.78 nM PMID[459491]
NPT2029 Cell Line SW 954 Homo sapiens IC50 = 68830.71 nM PMID[459491]
NPT2030 Cell Line U-698-M Homo sapiens IC50 = 3879490.07 nM PMID[459491]
NPT1535 Cell Line U-87 MG Homo sapiens IC50 = 25844.38 nM PMID[459491]
NPT2031 Cell Line ES8 Homo sapiens IC50 = 43935.25 nM PMID[459491]
NPT2032 Cell Line HAL-01 Homo sapiens IC50 = 12638.42 nM PMID[459491]
NPT2033 Cell Line JIYOYE Homo sapiens IC50 = 8519.55 nM PMID[459491]
NPT111 Cell Line K562 Homo sapiens IC50 = 53817.79 nM PMID[459491]
NPT2034 Cell Line LU-134-A Homo sapiens IC50 = 161122.67 nM PMID[459491]
NPT2035 Cell Line NCCIT Homo sapiens IC50 = 600541.65 nM PMID[459491]
NPT2036 Cell Line NCI-H1092 Homo sapiens IC50 = 35786.97 nM PMID[459491]
NPT1082 Cell Line NCI-H2126 Homo sapiens IC50 = 212897.96 nM PMID[459491]
NPT2038 Cell Line NCI-H748 Homo sapiens IC50 = 20295.29 nM PMID[459491]
NPT2040 Cell Line P30-OHK Homo sapiens IC50 = 123805.16 nM PMID[459491]
NPT2041 Cell Line P31-FUJ Homo sapiens IC50 = 1561278.01 nM PMID[459491]
NPT2028 Cell Line SK-N-FI Homo sapiens IC50 = 309121.68 nM PMID[459491]
NPT2043 Cell Line SK-NEP-1 Homo sapiens IC50 = 16980.17 nM PMID[459491]
NPT2044 Cell Line SW 962 Homo sapiens IC50 = 31759.88 nM PMID[459491]
NPT2045 Cell Line ETK-1 Homo sapiens IC50 = 241265.26 nM PMID[459491]
NPT2046 Cell Line EVSA-T Homo sapiens IC50 = 51973.97 nM PMID[459491]
NPT2047 Cell Line HC-1 Homo sapiens IC50 = 180625.89 nM PMID[459491]
NPT2048 Cell Line HCC1187 Homo sapiens IC50 = 20118.56 nM PMID[459491]
NPT2049 Cell Line HT Homo sapiens IC50 = 799710.67 nM PMID[459491]
NPT2050 Cell Line K052 Homo sapiens IC50 = 150148.53 nM PMID[459491]
NPT2051 Cell Line K5 Homo sapiens IC50 = 57672.88 nM PMID[459491]
NPT2052 Cell Line KALS-1 Homo sapiens IC50 = 59367.74 nM PMID[459491]
NPT2053 Cell Line LU-139 Homo sapiens IC50 = 65205.12 nM PMID[459491]
NPT2054 Cell Line LU-165 Homo sapiens IC50 = 879683.34 nM PMID[459491]
NPT2055 Cell Line ML-2 Homo sapiens IC50 = 28448.09 nM PMID[459491]
NPT2056 Cell Line MLMA Homo sapiens IC50 = 18027.46 nM PMID[459491]
NPT2057 Cell Line NCI-H1155 Homo sapiens IC50 = 22947.29 nM PMID[459491]
NPT2058 Cell Line NCI-H128 Homo sapiens IC50 = 16357.84 nM PMID[459491]
NPT2410 Cell Line NCI-H1299 Homo sapiens IC50 = 359840.18 nM PMID[459491]
NPT2059 Cell Line NCI-H2141 Homo sapiens IC50 = 392410.31 nM PMID[459491]
NPT2039 Cell Line NCI-H82 Homo sapiens IC50 = 754486.21 nM PMID[459491]
NPT2061 Cell Line NCI-H889 Homo sapiens IC50 = 683886.52 nM PMID[459491]
NPT2042 Cell Line SBC-1 Homo sapiens IC50 = 113080.39 nM PMID[459491]
NPT2063 Cell Line SK-PN-DW Homo sapiens IC50 = 65936.42 nM PMID[459491]
NPT403 Cell Line UACC-257 Homo sapiens IC50 = 5711.2 nM PMID[459491]
NPT2064 Cell Line UACC-812 Homo sapiens IC50 = 1240234.81 nM PMID[459491]
NPT2065 Cell Line EW-1 Homo sapiens IC50 = 316526.19 nM PMID[459491]
NPT2066 Cell Line EW-11 Homo sapiens IC50 = 387117.01 nM PMID[459491]
NPT2067 Cell Line KARPAS-299 Homo sapiens IC50 = 904190.44 nM PMID[459491]
NPT2068 Cell Line L-363 Homo sapiens IC50 = 366917.49 nM PMID[459491]
NPT2069 Cell Line Lu-65 Homo sapiens IC50 = 508496.33 nM PMID[459491]
NPT2071 Cell Line MMAC-SF Homo sapiens IC50 = 94508.62 nM PMID[459491]
NPT2073 Cell Line NCI-H1304 Homo sapiens IC50 = 23168.32 nM PMID[459491]
NPT2060 Cell Line NCI-H2171 Homo sapiens IC50 = 12632.0 nM PMID[459491]
NPT2075 Cell Line NCI-H2196 Homo sapiens IC50 = 645.37 nM PMID[459491]
NPT2076 Cell Line NCI-H2227 Homo sapiens IC50 = 571854.16 nM PMID[459491]
NPT465 Cell Line NCI-N87 Homo sapiens IC50 = 431229.31 nM PMID[459491]
NPT788 Cell Line SNU1 Homo sapiens IC50 = 44191.39 nM PMID[459491]
NPT2077 Cell Line SCC-3 Homo sapiens IC50 = 2799.69 nM PMID[459491]
NPT2078 Cell Line SK-UT-1 Homo sapiens IC50 = 48589.38 nM PMID[459491]
NPT2079 Cell Line EW-12 Homo sapiens IC50 = 155714.94 nM PMID[459491]
NPT2080 Cell Line EW-13 Homo sapiens IC50 = 689937.49 nM PMID[459491]
NPT2081 Cell Line HCC1599 Homo sapiens IC50 = 85807.29 nM PMID[459491]
NPT2082 Cell Line HT-144 Homo sapiens IC50 = 367446.97 nM PMID[459491]
NPT2083 Cell Line KARPAS-422 Homo sapiens IC50 = 216566.36 nM PMID[459491]
NPT2084 Cell Line KARPAS-45 Homo sapiens IC50 = 118411.76 nM PMID[459491]
NPT2085 Cell Line Kasumi 1 IC50 = 573596.97 nM PMID[459491]
NPT2086 Cell Line L-428 Homo sapiens IC50 = 567593.22 nM PMID[459491]
NPT2087 Cell Line L-540 Homo sapiens IC50 = 15453.46 nM PMID[459491]
NPT2070 Cell Line LXF-289 cell line IC50 = 58861.25 nM PMID[459491]
NPT2072 Cell Line MN-60 Homo sapiens IC50 = 384595.45 nM PMID[459491]
NPT2088 Cell Line MOLT-16 Homo sapiens IC50 = 30920.92 nM PMID[459491]
NPT2074 Cell Line NCI-H1355 Homo sapiens IC50 = 7643.14 nM PMID[459491]
NPT2089 Cell Line NCI-H1395 Homo sapiens IC50 = 391511.54 nM PMID[459491]
NPT405 Cell Line NCI-H226 Homo sapiens IC50 = 264413.72 nM PMID[459491]
NPT2090 Cell Line SNU-16 Homo sapiens IC50 = 97262.74 nM PMID[459491]
NPT2091 Cell Line SNU-5 Homo sapiens IC50 = 158226.89 nM PMID[459491]
NPT2092 Cell Line NEC8 Homo sapiens IC50 = 176296.63 nM PMID[459491]
NPT2093 Cell Line PF-382 Homo sapiens IC50 = 26510.79 nM PMID[459491]
NPT2094 Cell Line SKM-1 Homo sapiens IC50 = 1037021.56 nM PMID[459491]
NPT392 Cell Line SNB-75 Homo sapiens IC50 = 222573.86 nM PMID[459491]
NPT2096 Cell Line VA-ES-BJ Homo sapiens IC50 = 60021.63 nM PMID[459491]
NPT2097 Cell Line EW-16 Homo sapiens IC50 = 397030.06 nM PMID[459491]
NPT2098 Cell Line EW-18 Homo sapiens IC50 = 81887.63 nM PMID[459491]
NPT2099 Cell Line KE-37 Homo sapiens IC50 = 247888.98 nM PMID[459491]
NPT2100 Cell Line KG-1 IC50 = 264984.68 nM PMID[459491]
NPT1358 Cell Line LAMA-84 Homo sapiens IC50 = 265475.35 nM PMID[459491]
NPT2101 Cell Line LAN-6 Homo sapiens IC50 = 790779.37 nM PMID[459491]
NPT2102 Cell Line MC-CAR Homo sapiens IC50 = 664324.01 nM PMID[459491]
NPT112 Cell Line MOLT-4 Homo sapiens IC50 = 18364.33 nM PMID[459491]
NPT2103 Cell Line MONO-MAC-6 Homo sapiens IC50 = 408280.32 nM PMID[459491]
NPT2104 Cell Line NCI-H1417 Homo sapiens IC50 = 428530.54 nM PMID[459491]
NPT2105 Cell Line NCI-H1436 Homo sapiens IC50 = 335611.42 nM PMID[459491]
NPT370 Cell Line NCI-H23 Homo sapiens IC50 = 1121449.14 nM PMID[459491]
NPT2106 Cell Line NH-12 Homo sapiens IC50 = 183094.42 nM PMID[459491]
NPT2107 Cell Line PSN1 Homo sapiens IC50 = 31033.43 nM PMID[459491]
NPT2109 Cell Line SCH Homo sapiens IC50 = 556851.17 nM PMID[459491]
NPT2110 Cell Line SCLC-21H Homo sapiens IC50 = 501620.07 nM PMID[459491]
NPT2095 Cell Line TALL-1 Homo sapiens IC50 = 91529.29 nM PMID[459491]
NPT3092 Cell Line TC-YIK Homo sapiens IC50 = 386206.81 nM PMID[459491]
NPT2112 Cell Line TE-1 Homo sapiens IC50 = 28845.18 nM PMID[459491]
NPT2437 Cell Line EW-22 Homo sapiens IC50 = 220235.63 nM PMID[459491]
NPT2113 Cell Line EW-24 Homo sapiens IC50 = 518843.87 nM PMID[459491]
NPT2115 Cell Line HCC2157 Homo sapiens IC50 = 128483.95 nM PMID[459491]
NPT2116 Cell Line HCC2218 Homo sapiens IC50 = 680692.05 nM PMID[459491]
NPT2117 Cell Line HuTu80 Homo sapiens IC50 = 13002.44 nM PMID[459491]
NPT2118 Cell Line KGN Homo sapiens IC50 = 8410.13 nM PMID[459491]
NPT2119 Cell Line KINGS-1 Homo sapiens IC50 = 231641.06 nM PMID[459491]
NPT2120 Cell Line LB1047-RCC Homo sapiens IC50 = 349970.2 nM PMID[459491]
NPT2121 Cell Line LB2241-RCC Homo sapiens IC50 = 126993.89 nM PMID[459491]
NPT2122 Cell Line MC116 Homo sapiens IC50 = 756597.95 nM PMID[459491]
NPT2123 Cell Line MPP-89 Homo sapiens IC50 = 29681.44 nM PMID[459491]
NPT2124 Cell Line MRK-nu-1 Homo sapiens IC50 = 2011.02 nM PMID[459491]
NPT2125 Cell Line NCI-H1522 Homo sapiens IC50 = 597759.8 nM PMID[459491]
NPT2126 Cell Line NKM-1 Homo sapiens IC50 = 36337.16 nM PMID[459491]
NPT2127 Cell Line NMC-G1 Homo sapiens IC50 = 352028.1 nM PMID[459491]
NPT2108 Cell Line QIMR-WIL Homo sapiens IC50 = 18260.7 nM PMID[459491]
NPT2128 Cell Line RCC10RGB Homo sapiens IC50 = 78187.05 nM PMID[459491]
NPT2111 Cell Line SF-126 Homo sapiens IC50 = 18648.62 nM PMID[459491]
NPT395 Cell Line SF-268 Homo sapiens IC50 = 12664.96 nM PMID[459491]
NPT2129 Cell Line SNU-C1 Homo sapiens IC50 = 662758.72 nM PMID[459491]
NPT2130 Cell Line TE-10 Homo sapiens IC50 = 83236.92 nM PMID[459491]
NPT2131 Cell Line WSU-NHL Homo sapiens IC50 = 80592.53 nM PMID[459491]
NPT2114 Cell Line EW-3 Homo sapiens IC50 = 84618.59 nM PMID[459491]
NPT2132 Cell Line EOL1 Homo sapiens IC50 = 164321.03 nM PMID[459491]
NPT391 Cell Line HCC 2998 Homo sapiens IC50 = 125637.28 nM PMID[459491]
NPT2134 Cell Line LB2518-MEL Homo sapiens IC50 = 77058.51 nM PMID[459491]
NPT2135 Cell Line LB373-MEL-D Homo sapiens IC50 = 297757.38 nM PMID[459491]
NPT2136 Cell Line MDA-MB-134-VI Homo sapiens IC50 = 1029736.27 nM PMID[459491]
NPT2137 Cell Line MS-1 Homo sapiens IC50 = 612428.99 nM PMID[459491]
NPT2138 Cell Line MSTO-211H Homo sapiens IC50 = 784069.76 nM PMID[459491]
NPT2139 Cell Line NCI-H1581 Homo sapiens IC50 = 757886.02 nM PMID[459491]
NPT3093 Cell Line NCI-H250 Homo sapiens IC50 = 132483.22 nM PMID[459491]
NPT2140 Cell Line NOMO-1 Homo sapiens IC50 = 1083119.95 nM PMID[459491]
NPT2141 Cell Line NOS-1 Homo sapiens IC50 = 313036.88 nM PMID[459491]
NPT374 Cell Line SF-539 Homo sapiens IC50 = 2473.02 nM PMID[459491]
NPT385 Cell Line SR Homo sapiens IC50 = 20515.26 nM PMID[459491]
NPT2144 Cell Line TE-12 Homo sapiens IC50 = 32030.16 nM PMID[459491]
NPT2146 Cell Line YT Homo sapiens IC50 = 575923.59 nM PMID[459491]
NPT2133 Cell Line KM-H2 Homo sapiens IC50 = 131941.15 nM PMID[459491]
NPT386 Cell Line KM12 Homo sapiens IC50 = 40986.51 nM PMID[459491]
NPT2147 Cell Line LB647-SCLC Homo sapiens IC50 = 119730.81 nM PMID[459491]
NPT2148 Cell Line LB771-HNC Homo sapiens IC50 = 483095.81 nM PMID[459491]
NPT1649 Cell Line MV4-11 Homo sapiens IC50 = 31790.52 nM PMID[459491]
NPT2149 Cell Line MZ1-PC Homo sapiens IC50 = 319133.98 nM PMID[459491]
NPT2150 Cell Line NCI-H1648 Homo sapiens IC50 = 252688.12 nM PMID[459491]
NPT388 Cell Line NCI-H322M Homo sapiens IC50 = 145601.58 nM PMID[459491]
NPT2151 Cell Line NCI-H345 Homo sapiens IC50 = 46371.27 nM PMID[459491]
NPT2152 Cell Line NTERA-2-cl-D1 Homo sapiens IC50 = 76533.15 nM PMID[459491]
NPT2142 Cell Line REH Homo sapiens IC50 = 181816.33 nM PMID[459491]
NPT2153 Cell Line RH-1 Homo sapiens IC50 = 966386.64 nM PMID[459491]
NPT2154 Cell Line SH-4 Homo sapiens IC50 = 15265.72 nM PMID[459491]
NPT2155 Cell Line SHP77 Homo sapiens IC50 = 525566.64 nM PMID[459491]
NPT2143 Cell Line ST486 Homo sapiens IC50 = 15829.83 nM PMID[459491]
NPT2156 Cell Line SU-DHL-1 Homo sapiens IC50 = 564526.88 nM PMID[459491]
NPT2157 Cell Line SUP-T1 Homo sapiens IC50 = 734271.61 nM PMID[459491]
NPT2145 Cell Line TE-15 Homo sapiens IC50 = 517994.69 nM PMID[459491]
NPT2158 Cell Line TE-441-T Homo sapiens IC50 = 30016.73 nM PMID[459491]
NPT2159 Cell Line TE-5 Homo sapiens IC50 = 31590.74 nM PMID[459491]
NPT2160 Cell Line no-10 Homo sapiens IC50 = 1335.78 nM PMID[459491]
NPT2161 Cell Line no-11 Homo sapiens IC50 = 51921.29 nM PMID[459491]
NPT2162 Cell Line HCE-T Homo sapiens IC50 = 110736.11 nM PMID[459491]
NPT2163 Cell Line KMOE-2 Homo sapiens IC50 = 32081.84 nM PMID[459491]
NPT2164 Cell Line KMS-12-PE Homo sapiens IC50 = 81668.39 nM PMID[459491]
NPT2165 Cell Line KNS-42 Homo sapiens IC50 = 297538.31 nM PMID[459491]
NPT2166 Cell Line LB831-BLC Homo sapiens IC50 = 286607.88 nM PMID[459491]
NPT2167 Cell Line LB996-RCC Homo sapiens IC50 = 193105.76 nM PMID[459491]
NPT2168 Cell Line MZ2-MEL Homo sapiens IC50 = 229620.05 nM PMID[459491]
NPT1820 Cell Line NCI-H1650 Homo sapiens IC50 = 925609.09 nM PMID[459491]
NPT3094 Cell Line NCI-H378 Homo sapiens IC50 = 713513.96 nM PMID[459491]
NPT937 Cell Line NCI-H446 Homo sapiens IC50 = 201237.94 nM PMID[459491]
NPT2170 Cell Line RKO Homo sapiens IC50 = 6988.49 nM PMID[459491]
NPT2171 Cell Line SIG-M5 Homo sapiens IC50 = 211054.21 nM PMID[459491]
NPT2172 Cell Line SIMA Homo sapiens IC50 = 39615.84 nM PMID[459491]
NPT2173 Cell Line TE-6 Homo sapiens IC50 = 408824.92 nM PMID[459491]
NPT2174 Cell Line TE-8 Homo sapiens IC50 = 478116.3 nM PMID[459491]
NPT2175 Cell Line GAK Homo sapiens IC50 = 31345.26 nM PMID[459491]
NPT2176 Cell Line HD-MY-Z Homo sapiens IC50 = 67632.39 nM PMID[459491]
NPT2178 Cell Line KNS-81-FD Homo sapiens IC50 = 297713.02 nM PMID[459491]
NPT2179 Cell Line LC-1F Homo sapiens IC50 = 688760.08 nM PMID[459491]
NPT2180 Cell Line LC-2-ad Homo sapiens IC50 = 434857.33 nM PMID[459491]
NPT2181 Cell Line MEG-01 Homo sapiens IC50 = 40980.65 nM PMID[459491]
NPT2169 Cell Line MZ7-mel Homo sapiens IC50 = 30224.08 nM PMID[459491]
NPT2183 Cell Line NCI-H1694 Homo sapiens IC50 = 95820.15 nM PMID[459491]
NPT2184 Cell Line NCI-H510A Homo sapiens IC50 = 142981.32 nM PMID[459491]
NPT2185 Cell Line OCI-AML2 Homo sapiens IC50 = 608313.27 nM PMID[459491]
NPT2186 Cell Line RL Homo sapiens IC50 = 180550.41 nM PMID[459491]
NPT2187 Cell Line RL95-2 Homo sapiens IC50 = 164072.93 nM PMID[459491]
NPT2188 Cell Line SJSA-1 Homo sapiens IC50 = 55948.41 nM PMID[459491]
NPT2189 Cell Line TE-9 Homo sapiens IC50 = 183353.32 nM PMID[459491]
NPT2190 Cell Line GB-1 Homo sapiens IC50 = 373069.6 nM PMID[459491]
NPT2191 Cell Line GCIY Homo sapiens IC50 = 5979.73 nM PMID[459491]
NPT2177 Cell Line HDLM-2 Homo sapiens IC50 = 320234.97 nM PMID[459491]
NPT2192 Cell Line HEL Homo sapiens IC50 = 3181.06 nM PMID[459491]
NPT2193 Cell Line IM-9 Homo sapiens IC50 = 208395.77 nM PMID[459491]
NPT2194 Cell Line IMR-5 Homo sapiens IC50 = 846788.54 nM PMID[459491]
NPT2195 Cell Line LC4-1 Homo sapiens IC50 = 126137.55 nM PMID[459491]
NPT623 Cell Line NALM-6 Homo sapiens IC50 = 33016.91 nM PMID[459491]
NPT2196 Cell Line NB1 Homo sapiens IC50 = 369463.15 nM PMID[459491]
NPT2198 Cell Line NCI-H524 Homo sapiens IC50 = 14023.51 nM PMID[459491]
NPT2199 Cell Line OCUB-M Homo sapiens IC50 = 154754.19 nM PMID[459491]
NPT2200 Cell Line RPMI-6666 Homo sapiens IC50 = 47577.5 nM PMID[459491]
NPT2201 Cell Line SK-LMS-1 Homo sapiens IC50 = 15732.79 nM PMID[459491]
NPT2202 Cell Line TGBC1TKB Homo sapiens IC50 = 373361.46 nM PMID[459491]
NPT2203 Cell Line GDM-1 Homo sapiens IC50 = 36716.12 nM PMID[459491]
NPT2204 Cell Line HH Homo sapiens IC50 = 309920.87 nM PMID[459491]
NPT2205 Cell Line IST-MEL1 Homo sapiens IC50 = 421446.99 nM PMID[459491]
NPT2206 Cell Line IST-MES1 Homo sapiens IC50 = 268454.11 nM PMID[459491]
NPT2207 Cell Line KP-N-YN Homo sapiens IC50 = 52265.47 nM PMID[459491]
NPT2208 Cell Line KP-N-YS Homo sapiens IC50 = 156630.1 nM PMID[459491]
NPT2210 Cell Line NB10 Homo sapiens IC50 = 19292.07 nM PMID[459491]
NPT2211 Cell Line NB12 Homo sapiens IC50 = 248782.25 nM PMID[459491]
NPT2197 Cell Line NCI-H1770 Homo sapiens IC50 = 21594.44 nM PMID[459491]
NPT383 Cell Line SNB-19 Homo sapiens GI50 = 63100.0 nM PMID[459493]
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 = 19950.0 nM PMID[459493]
NPT388 Cell Line NCI-H322M Homo sapiens GI50 = 19950.0 nM PMID[459493]
NPT112 Cell Line MOLT-4 Homo sapiens GI50 = 15850.0 nM PMID[459493]
NPT406 Cell Line RXF 393 Homo sapiens GI50 = 12590.0 nM PMID[459493]
NPT393 Cell Line HCT-116 Homo sapiens GI50 = 10000.0 nM PMID[459493]
NPT390 Cell Line LOX IMVI Homo sapiens GI50 = 7940.0 nM PMID[459493]
NPT270 Individual Protein Nitric oxide synthase, inducible Mus musculus IC50 = 1050.0 nM PMID[459497]
NPT76 Cell Line C6 Rattus norvegicus IC50 = 6600.0 nM PMID[459501]
NPT83 Cell Line MCF7 Homo sapiens IC50 = 6900.0 nM PMID[459501]
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 = 7940.0 nM PMID[459502]
NPT116 Cell Line HL-60 Homo sapiens GI50 = 5010.0 nM PMID[459502]
NPT111 Cell Line K562 Homo sapiens GI50 = 19900.0 nM PMID[459502]
NPT455 Cell Line NCI-H522 Homo sapiens GI50 = 5010.0 nM PMID[459502]
NPT323 Cell Line SW-620 Homo sapiens GI50 = 15800.0 nM PMID[459502]
NPT392 Cell Line SNB-75 Homo sapiens GI50 = 50100.0 nM PMID[459502]
NPT375 Cell Line Malme-3M Homo sapiens GI50 = 12500.0 nM PMID[459502]
NPT458 Cell Line IGROV-1 Homo sapiens GI50 = 19900.0 nM PMID[459502]
NPT308 Cell Line CAKI-1 Homo sapiens GI50 = 10000.0 nM PMID[459502]
NPT83 Cell Line MCF7 Homo sapiens GI50 = 15800.0 nM PMID[459502]
NPT584 Individual Protein NACHT, LRR and PYD domains-containing protein 3 Homo sapiens Inhibition = 25.9 % PMID[459505]
NPT277 Individual Protein Caspase-1 Homo sapiens Ki = 10600.0 nM PMID[459505]
NPT277 Individual Protein Caspase-1 Homo sapiens Kinact = 4.0 /s PMID[459505]
NPT384 Cell Line TK-10 Homo sapiens IC50 = 3710.0 nM PMID[459506]
NPT83 Cell Line MCF7 Homo sapiens IC50 = 2400.0 nM PMID[459506]
NPT1535 Cell Line U-87 MG Homo sapiens IC50 = 8800.0 nM PMID[459507]
NPT76 Cell Line C6 Rattus norvegicus IC50 = 2500.0 nM PMID[459509]
NPT116 Cell Line HL-60 Homo sapiens IC50 = 2000.0 nM PMID[459509]
NPT604 Individual Protein Serum albumin Homo sapiens T1/2 = 0.6167 hr PMID[459512]
NPT604 Individual Protein Serum albumin Homo sapiens T1/2 = 1.1 hr PMID[459512]
NPT179 Cell Line A2780 Homo sapiens TGI = 10.0 % PMID[459512]
NPT179 Cell Line A2780 Homo sapiens EC50 = 12900.0 nM PMID[459512]
NPT165 Cell Line HeLa Homo sapiens IC50 = 5700.0 nM PMID[459512]
NPT660 Cell Line SW480 Homo sapiens IC50 = 15300.0 nM PMID[459512]
NPT116 Cell Line HL-60 Homo sapiens IC50 = 4200.0 nM PMID[459515]
NPT839 Cell Line L6 Rattus norvegicus IC50 = 7200.0 nM PMID[459517]
NPT181 Cell Line Bel-7402 Homo sapiens IC50 = 4100.0 nM PMID[459518]
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 2410.0 nM PMID[459518]
NPT461 Cell Line PANC-1 Homo sapiens IC50 = 9630.0 nM PMID[459518]
NPT81 Cell Line A549 Homo sapiens IC50 = 13820.0 nM PMID[459518]
NPT1535 Cell Line U-87 MG Homo sapiens IC50 = 8680.0 nM PMID[459518]
NPT886 Cell Line NIH3T3 Mus musculus IC50 = 5350.0 nM PMID[459518]
NPT393 Cell Line HCT-116 Homo sapiens Activity = 73.2 % PMID[459518]
NPT393 Cell Line HCT-116 Homo sapiens Activity = 14.5 % PMID[459518]
NPT393 Cell Line HCT-116 Homo sapiens Activity = 5.8 % PMID[459518]
NPT393 Cell Line HCT-116 Homo sapiens Activity = 6.51 % PMID[459518]
NPT3722 Cell Line 4T1 Mus musculus IC50 = 4090.0 nM PMID[459521]
NPT1872 Cell Line Bcap37 Homo sapiens IC50 = 4630.0 nM PMID[459521]
NPT83 Cell Line MCF7 Homo sapiens IC50 = 2680.0 nM PMID[459521]
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 3480.0 nM PMID[459521]
NPT6530 Cell Line MOLM-13 Homo sapiens IC50 = 10000.0 nM PMID[459522]
NPT65 Cell Line HepG2 Homo sapiens IC50 > 10000.0 nM PMID[459522]
NPT1535 Cell Line U-87 MG Homo sapiens IC50 = 4380.0 nM PMID[459523]
NPT2363 Cell Line U-118-MG Homo sapiens IC50 = 5940.0 nM PMID[459523]
NPT2111 Cell Line SF-126 Homo sapiens IC50 = 17100.0 nM PMID[459523]
NPT380 Cell Line U-251 Homo sapiens IC50 = 12550.0 nM PMID[459523]
NPT76 Cell Line C6 Rattus norvegicus IC50 = 5450.0 nM PMID[459523]
NPT886 Cell Line NIH3T3 Mus musculus IC50 = 7140.0 nM PMID[459523]
NPT38 Individual Protein Signal transducer and activator of transcription 3 Homo sapiens Inhibition = 73.7 % PMID[459524]
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 4940.0 nM PMID[459524]
NPT139 Cell Line HT-29 Homo sapiens IC50 = 3380.0 nM PMID[459524]
NPT65 Cell Line HepG2 Homo sapiens IC50 = 17000.0 nM PMID[459529]
NPT83 Cell Line MCF7 Homo sapiens IC50 = 11000.0 nM PMID[459529]
NPT2182 Cell Line Mo Homo sapiens IC50 = 1021815.27 nM DOI[10.6019/CHEMBL1201861]
NPT721 Individual Protein Nuclear factor NF-kappa-B p65 subunit Homo sapiens IC100 = 20.0 uM PMID[459458]
NPT20967 CELL-LINE Platelet n.a. IC50 = 3030.0 nM PMID[459463]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. ED50 = 0.45 ug ml-1 PMID[459464]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. ED50 = 0.76 ug ml-1 PMID[459464]
NPT1881 Uncleic Acid Calf thymus DNA Bos taurus Activity = 30.0 % PMID[459465]
NPT317 Uncleic Acid Nucleic Acid Activity < 30.0 % PMID[459465]
NPT2 Others Unspecified IC50 = 9760.0 nM PMID[459466]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. IC50 = 3030.0 nM PMID[459467]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. IC50 = 5640.0 nM PMID[459467]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. Inhibition = 20.3 % PMID[459467]
NPT2 Others Unspecified Ki = 230000.0 nM PMID[459468]
NPT2 Others Unspecified Activity = 20.0 uM PMID[459470]
NPT2 Others Unspecified IC50 = 2340.0 nM PMID[459472]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. IC50 = 1.37 ug.mL-1 PMID[459473]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. Activity = 84.0 % PMID[459475]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. LD50 = 1.4 uM PMID[459475]
NPT35 Others n.a. Solubility = 169000.0 nM PMID[459475]
NPT2 Others Unspecified IC50 = 3300.0 nM PMID[459477]
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 10000.0 nM PMID[459479]
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 12589.25 nM PMID[459479]
NPT2 Others Unspecified IC50 = 4700.0 nM PMID[459482]
NPT2 Others Unspecified IC50 = 1400.0 nM PMID[459484]
NPT67 Individual Protein Cholinesterase Equus caballus Inhibition = 14.03 % PMID[459485]
NPT32 Organism Mus musculus Mus musculus T1/2 = 0.34 hr PMID[459486]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. CFU = 0.0 n.a. PMID[459486]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. CFU = 2.0 n.a. PMID[459486]
NPT2 Others Unspecified Activity = 1.73 % PMID[459486]
NPT2 Others Unspecified Activity = 60.3 % PMID[459486]
NPT2 Others Unspecified Activity = 27.8 % PMID[459486]
NPT2 Others Unspecified Activity = 0.046 % PMID[459486]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. FC = 2.6 n.a. PMID[459486]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. FC = 3.8 n.a. PMID[459486]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. Activity = 4.7 % PMID[459486]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. Activity = 13.2 % PMID[459486]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. Activity = 8.3 % PMID[459486]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. Activity = 18.0 % PMID[459486]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. IC50 = 4100.0 nM PMID[459486]
NPT2 Others Unspecified IC50 = 0.68 ug.mL-1 PMID[459487]
NPT3091 Organism Orobanche cernua var. cumana Orobanche cernua var. cumana Activity > 40.0 % PMID[459488]
NPT27 Others Unspecified log Pe = -4.58 n.a. PMID[459489]
NPT840 Individual Protein Transcriptional activator Myb Gallus gallus IC50 = 17418.07 nM PMID[459492]
NPT27 Others Unspecified IC50 > 30000.0 nM PMID[459492]
NPT840 Individual Protein Transcriptional activator Myb Gallus gallus IC50 = 17410.0 nM PMID[459492]
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 114.19 % PMID[459494]
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 140.74 % PMID[459494]
NPT27 Others Unspecified IC50 = 16400.0 nM PMID[459495]
NPT2 Others Unspecified IC50 = 1500.0 nM PMID[459496]
NPT2 Others Unspecified IC50 = 1630.0 nM PMID[459497]
NPT983 Protein Complex Nuclear factor NF-kappa-B complex Homo sapiens IC50 = 3400.0 nM PMID[459498]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. IC50 = 3000.0 nM PMID[459500]
NPT27 Others Unspecified Ratio IC50 = 2.1 n.a. PMID[459500]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. IC50 = 2500.0 nM PMID[459501]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. IC50 = 10300.0 nM PMID[459501]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. GI50 = 15800.0 nM PMID[459502]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. GI50 = 7940.0 nM PMID[459502]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. GI50 = 12500.0 nM PMID[459502]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. GI50 = 10000.0 nM PMID[459502]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. GI50 = 19900.0 nM PMID[459502]
NPT27 Others Unspecified Solubility = 169000.0 nM PMID[459503]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. Inhibition = 100.3 % PMID[459505]
NPT27 Others Unspecified TC50 = 20.1 uM PMID[459505]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. EC50 = 125.89 nM PMID[459505]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. EC50 = 501.19 nM PMID[459505]
NPT35 Others n.a. K = 47.9 /M/s PMID[459505]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. IC50 = 9710.0 nM PMID[459506]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. IC50 = 7600.0 nM PMID[459507]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. IC50 = 3400.0 nM PMID[459507]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. IC50 = 2570.0 nM PMID[459508]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. IC50 = 2300.0 nM PMID[459509]
NPT626 Tissue Liver microsome Homo sapiens T1/2 = 1.392 hr PMID[459509]
NPT614 Tissue Plasma Rattus norvegicus T1/2 = 0.2783 hr PMID[459509]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. Activity = 11.0 % PMID[459510]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. Activity = 22.0 % PMID[459510]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. Activity = 12.0 % PMID[459510]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. EC50 = 6000.0 nM PMID[459511]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. EC50 = 16000.0 nM PMID[459511]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. EC50 = 2500.0 nM PMID[459511]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. EC50 = 4700.0 nM PMID[459511]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. EC50 = 8000.0 nM PMID[459511]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. EC50 = 7000.0 nM PMID[459511]
NPT2 Others Unspecified Inhibition > 95.0 % PMID[459512]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. IC50 = 9800.0 nM PMID[459512]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. LC50 = 5400.0 nM PMID[459513]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. LC50 = 6100.0 nM PMID[459513]
NPT27 Others Unspecified LC50 = 42000.0 nM PMID[459513]
NPT27 Others Unspecified IC50 = 12500.0 nM PMID[459513]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. EC50 = 7000.0 nM PMID[459514]
NPT23712 CELL-LINE KG-1a Homo sapiens Activity = 84.7 % PMID[459515]
NPT23712 CELL-LINE KG-1a Homo sapiens Activity = 1.81 % PMID[459515]
NPT23712 CELL-LINE KG-1a Homo sapiens Activity = 13.1 % PMID[459515]
NPT23712 CELL-LINE KG-1a Homo sapiens Activity = 0.336 % PMID[459515]
NPT23712 CELL-LINE KG-1a Homo sapiens Activity = 95.2 % PMID[459515]
NPT23712 CELL-LINE KG-1a Homo sapiens Activity = 0.327 % PMID[459515]
NPT23712 CELL-LINE KG-1a Homo sapiens Activity = 4.08 % PMID[459515]
NPT23712 CELL-LINE KG-1a Homo sapiens Activity = 0.413 % PMID[459515]
NPT23712 CELL-LINE KG-1a Homo sapiens IC50 = 3500.0 nM PMID[459515]
NPT2 Others Unspecified LC50 = 7500.0 nM PMID[459516]
NPT2 Others Unspecified Ratio IC50 = 18.6 n.a. PMID[459517]
NPT844 Organism Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense IC50 = 390.0 nM PMID[459517]
NPT23713 CELL-LINE FHC Homo sapiens IC50 = 1560.0 nM PMID[459518]
NPT2 Others Unspecified IC50 = 17190.0 nM PMID[459518]
NPT2 Others Unspecified Ratio IC50 = 0.65 n.a. PMID[459518]
NPT2 Others Unspecified Ratio IC50 = 1.8 n.a. PMID[459518]
NPT2 Others Unspecified EC50 = 5900.0 nM PMID[459519]
NPT2 Others Unspecified EC50 = 7000.0 nM PMID[459519]
NPT2 Others Unspecified EC50 = 4300.0 nM PMID[459519]
NPT20555 ORGANISM SARS-CoV-2 Severe acute respiratory syndrome coronavirus 2 Inhibition = 11.81 % PMID[459520]
NPT23714 CELL-LINE SUM-159-PT Homo sapiens Activity = 0.049 % PMID[459521]
NPT23714 CELL-LINE SUM-159-PT Homo sapiens Activity = 1.1 % PMID[459521]
NPT23714 CELL-LINE SUM-159-PT Homo sapiens Activity = 2.49 % PMID[459521]
NPT23714 CELL-LINE SUM-159-PT Homo sapiens Activity = 96.4 % PMID[459521]
NPT23714 CELL-LINE SUM-159-PT Homo sapiens IC50 = 3060.0 nM PMID[459521]
NPT2 Others Unspecified IC50 = 9520.0 nM PMID[459523]
NPT20556 SINGLE PROTEIN Replicase polyprotein 1ab Severe acute respiratory syndrome coronavirus 2 Inhibition = -12.23 % PMID[459525]
NPT20556 SINGLE PROTEIN Replicase polyprotein 1ab Severe acute respiratory syndrome coronavirus 2 Inhibition = -0.5719 % PMID[459526]
NPT20555 ORGANISM SARS-CoV-2 Severe acute respiratory syndrome coronavirus 2 Inhibition = -0.48 % PMID[459527]
NPT20555 ORGANISM SARS-CoV-2 Severe acute respiratory syndrome coronavirus 2 Inhibition = -0.34 % PMID[459528]

☑ Note for Activity Records:
☉ The quantitative biological activities were primarily integrated from ChEMBL (Version-30) database and were also directly collected from PubMed literature. PubMed PMID was provided as the reference link for each activity record.

  Chemically structural similarity: I. Similar Active Natural Products in NPASS

Top-200 similar NPs were calculated against the active-NP-set (includes 4,3285 NPs with experimentally-derived bioactivity available 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 NPC50362 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 NPC38468
1.0 High Similarity NPC319795
0.9518 High Similarity NPC151770
0.9405 High Similarity NPC251385
0.9405 High Similarity NPC49342
0.908 High Similarity NPC473316
0.908 High Similarity NPC303942
0.908 High Similarity NPC57405
0.908 High Similarity NPC473330
0.908 High Similarity NPC471147
0.9059 High Similarity NPC166919
0.9048 High Similarity NPC231889
0.9024 High Similarity NPC272814
0.9012 High Similarity NPC207188
0.8977 High Similarity NPC475659
0.8953 High Similarity NPC475748
0.8929 High Similarity NPC50637
0.8876 High Similarity NPC473859
0.875 High Similarity NPC212486
0.8736 High Similarity NPC312042
0.8681 High Similarity NPC473326
0.8681 High Similarity NPC208233
0.8681 High Similarity NPC279561
0.8667 High Similarity NPC35498
0.8652 High Similarity NPC140543
0.8621 High Similarity NPC474032
0.8605 High Similarity NPC5130
0.8605 High Similarity NPC475703
0.8587 High Similarity NPC288876
0.8556 High Similarity NPC14961
0.8556 High Similarity NPC270013
0.8537 High Similarity NPC617
0.85 High Similarity NPC155587
0.8495 Intermediate Similarity NPC264477
0.8495 Intermediate Similarity NPC477511
0.8471 Intermediate Similarity NPC470238
0.8471 Intermediate Similarity NPC138647
0.8462 Intermediate Similarity NPC279621
0.8462 Intermediate Similarity NPC476315
0.8462 Intermediate Similarity NPC17585
0.8444 Intermediate Similarity NPC474035
0.8444 Intermediate Similarity NPC476267
0.8444 Intermediate Similarity NPC81386
0.8427 Intermediate Similarity NPC184463
0.8409 Intermediate Similarity NPC307411
0.8395 Intermediate Similarity NPC235906
0.837 Intermediate Similarity NPC471140
0.8333 Intermediate Similarity NPC475912
0.8333 Intermediate Similarity NPC125674
0.8333 Intermediate Similarity NPC475838
0.8333 Intermediate Similarity NPC476300
0.8333 Intermediate Similarity NPC228451
0.8333 Intermediate Similarity NPC141810
0.8315 Intermediate Similarity NPC51004
0.8315 Intermediate Similarity NPC469718
0.8315 Intermediate Similarity NPC62815
0.8315 Intermediate Similarity NPC473619
0.8315 Intermediate Similarity NPC329857
0.8295 Intermediate Similarity NPC202672
0.8295 Intermediate Similarity NPC473715
0.825 Intermediate Similarity NPC295633
0.825 Intermediate Similarity NPC58956
0.825 Intermediate Similarity NPC269206
0.8242 Intermediate Similarity NPC474247
0.8229 Intermediate Similarity NPC471143
0.8229 Intermediate Similarity NPC477510
0.8222 Intermediate Similarity NPC70251
0.8222 Intermediate Similarity NPC208886
0.8222 Intermediate Similarity NPC475881
0.8222 Intermediate Similarity NPC30515
0.8222 Intermediate Similarity NPC473321
0.8222 Intermediate Similarity NPC12172
0.8222 Intermediate Similarity NPC20713
0.8202 Intermediate Similarity NPC4986
0.8191 Intermediate Similarity NPC477512
0.8191 Intermediate Similarity NPC475949
0.8182 Intermediate Similarity NPC266957
0.8161 Intermediate Similarity NPC474547
0.8152 Intermediate Similarity NPC471141
0.8152 Intermediate Similarity NPC36954
0.814 Intermediate Similarity NPC170377
0.814 Intermediate Similarity NPC474472
0.814 Intermediate Similarity NPC170286
0.814 Intermediate Similarity NPC257358
0.8132 Intermediate Similarity NPC295204
0.8132 Intermediate Similarity NPC288240
0.8132 Intermediate Similarity NPC81419
0.8132 Intermediate Similarity NPC162205
0.8132 Intermediate Similarity NPC273579
0.8132 Intermediate Similarity NPC179746
0.8111 Intermediate Similarity NPC476004
0.8111 Intermediate Similarity NPC474761
0.8111 Intermediate Similarity NPC80875
0.8105 Intermediate Similarity NPC476270
0.8105 Intermediate Similarity NPC474339
0.8105 Intermediate Similarity NPC47880
0.8105 Intermediate Similarity NPC164598
0.809 Intermediate Similarity NPC281516
0.809 Intermediate Similarity NPC224652
0.8085 Intermediate Similarity NPC474213
0.8072 Intermediate Similarity NPC141789
0.8072 Intermediate Similarity NPC171204
0.8072 Intermediate Similarity NPC476028
0.8068 Intermediate Similarity NPC284902
0.8065 Intermediate Similarity NPC230800
0.8061 Intermediate Similarity NPC477513
0.8049 Intermediate Similarity NPC226669
0.8049 Intermediate Similarity NPC138408
0.8049 Intermediate Similarity NPC193351
0.8021 Intermediate Similarity NPC149371
0.8021 Intermediate Similarity NPC471148
0.8 Intermediate Similarity NPC474510
0.8 Intermediate Similarity NPC474981
0.7976 Intermediate Similarity NPC472960
0.7957 Intermediate Similarity NPC474947
0.7957 Intermediate Similarity NPC471142
0.7957 Intermediate Similarity NPC477922
0.7955 Intermediate Similarity NPC304509
0.7955 Intermediate Similarity NPC197903
0.7955 Intermediate Similarity NPC149725
0.7955 Intermediate Similarity NPC21469
0.7955 Intermediate Similarity NPC99395
0.7955 Intermediate Similarity NPC47958
0.7935 Intermediate Similarity NPC165383
0.7931 Intermediate Similarity NPC318468
0.7931 Intermediate Similarity NPC250315
0.7917 Intermediate Similarity NPC473332
0.7917 Intermediate Similarity NPC201718
0.7912 Intermediate Similarity NPC179394
0.7912 Intermediate Similarity NPC144133
0.7912 Intermediate Similarity NPC475855
0.7901 Intermediate Similarity NPC129665
0.7901 Intermediate Similarity NPC163003
0.7895 Intermediate Similarity NPC471144
0.7882 Intermediate Similarity NPC270126
0.7882 Intermediate Similarity NPC98557
0.7882 Intermediate Similarity NPC167881
0.7872 Intermediate Similarity NPC476275
0.7872 Intermediate Similarity NPC477921
0.7865 Intermediate Similarity NPC470242
0.7865 Intermediate Similarity NPC122502
0.7857 Intermediate Similarity NPC187568
0.7857 Intermediate Similarity NPC470240
0.7857 Intermediate Similarity NPC65603
0.7857 Intermediate Similarity NPC474741
0.7857 Intermediate Similarity NPC41780
0.7857 Intermediate Similarity NPC476794
0.7849 Intermediate Similarity NPC66581
0.7841 Intermediate Similarity NPC72464
0.7841 Intermediate Similarity NPC191476
0.7841 Intermediate Similarity NPC114979
0.7841 Intermediate Similarity NPC96259
0.7841 Intermediate Similarity NPC141193
0.7826 Intermediate Similarity NPC470379
0.7826 Intermediate Similarity NPC470373
0.7802 Intermediate Similarity NPC295312
0.7791 Intermediate Similarity NPC474739
0.7791 Intermediate Similarity NPC223904
0.7791 Intermediate Similarity NPC281132
0.7791 Intermediate Similarity NPC233377
0.7778 Intermediate Similarity NPC243998
0.7778 Intermediate Similarity NPC270270
0.7778 Intermediate Similarity NPC248602
0.7778 Intermediate Similarity NPC186148
0.7778 Intermediate Similarity NPC190753
0.7778 Intermediate Similarity NPC223450
0.7766 Intermediate Similarity NPC107476
0.7765 Intermediate Similarity NPC471465
0.7765 Intermediate Similarity NPC196653
0.7753 Intermediate Similarity NPC215364
0.7753 Intermediate Similarity NPC235792
0.7753 Intermediate Similarity NPC255307
0.7732 Intermediate Similarity NPC474742
0.7727 Intermediate Similarity NPC11620
0.7727 Intermediate Similarity NPC128429
0.7727 Intermediate Similarity NPC475947
0.7727 Intermediate Similarity NPC39588
0.7711 Intermediate Similarity NPC140287
0.7711 Intermediate Similarity NPC476355
0.7701 Intermediate Similarity NPC24417
0.7701 Intermediate Similarity NPC281949
0.7701 Intermediate Similarity NPC301477
0.7701 Intermediate Similarity NPC10276
0.7701 Intermediate Similarity NPC35089
0.7701 Intermediate Similarity NPC25684
0.7692 Intermediate Similarity NPC474471
0.7692 Intermediate Similarity NPC58219
0.7692 Intermediate Similarity NPC153805
0.7692 Intermediate Similarity NPC177629
0.7692 Intermediate Similarity NPC227379
0.7692 Intermediate Similarity NPC91248
0.7674 Intermediate Similarity NPC470244
0.7674 Intermediate Similarity NPC470239
0.7674 Intermediate Similarity NPC182550
0.7674 Intermediate Similarity NPC63649
0.7674 Intermediate Similarity NPC264227
0.7674 Intermediate Similarity NPC472965
0.7667 Intermediate Similarity NPC475461
0.7667 Intermediate Similarity NPC67493
0.7667 Intermediate Similarity NPC204048

  Chemically structural similarity: II. Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC50362 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 NPD1733 Clinical (unspecified phase)
0.8202 Intermediate Similarity NPD1695 Approved
0.7527 Intermediate Similarity NPD46 Approved
0.7527 Intermediate Similarity NPD6698 Approved
0.7041 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.6979 Remote Similarity NPD7838 Discovery
0.6951 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6907 Remote Similarity NPD7983 Approved
0.6822 Remote Similarity NPD6371 Approved
0.6809 Remote Similarity NPD1694 Approved
0.6604 Remote Similarity NPD6008 Approved
0.6505 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6489 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6455 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6442 Remote Similarity NPD6648 Approved
0.6421 Remote Similarity NPD7154 Phase 3
0.6389 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6381 Remote Similarity NPD5344 Discontinued
0.6346 Remote Similarity NPD4225 Approved
0.6337 Remote Similarity NPD5779 Approved
0.6337 Remote Similarity NPD5778 Approved
0.633 Remote Similarity NPD6686 Approved
0.6316 Remote Similarity NPD5209 Approved
0.6316 Remote Similarity NPD6435 Approved
0.63 Remote Similarity NPD5785 Approved
0.6275 Remote Similarity NPD5282 Discontinued
0.6264 Remote Similarity NPD8039 Approved
0.625 Remote Similarity NPD6053 Discontinued
0.6239 Remote Similarity NPD8516 Approved
0.6239 Remote Similarity NPD8517 Approved
0.6239 Remote Similarity NPD8515 Approved
0.6239 Remote Similarity NPD8513 Phase 3
0.6224 Remote Similarity NPD5786 Approved
0.6224 Remote Similarity NPD4249 Approved
0.6216 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6211 Remote Similarity NPD5369 Approved
0.6174 Remote Similarity NPD7115 Discovery
0.6162 Remote Similarity NPD4251 Approved
0.6162 Remote Similarity NPD4250 Approved
0.6154 Remote Similarity NPD7839 Suspended
0.6134 Remote Similarity NPD7642 Approved
0.6126 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6122 Remote Similarity NPD5363 Approved
0.6105 Remote Similarity NPD5368 Approved
0.6082 Remote Similarity NPD5362 Discontinued
0.604 Remote Similarity NPD6101 Approved
0.604 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6 Remote Similarity NPD7829 Approved
0.6 Remote Similarity NPD7830 Approved
0.5984 Remote Similarity NPD8074 Phase 3
0.5979 Remote Similarity NPD4269 Approved
0.5979 Remote Similarity NPD4270 Approved
0.596 Remote Similarity NPD6082 Clinical (unspecified phase)
0.5938 Remote Similarity NPD4819 Approved
0.5938 Remote Similarity NPD5790 Clinical (unspecified phase)
0.5938 Remote Similarity NPD4821 Approved
0.5938 Remote Similarity NPD4820 Approved
0.5938 Remote Similarity NPD4822 Approved
0.5922 Remote Similarity NPD6411 Approved
0.5909 Remote Similarity NPD7331 Phase 2
0.59 Remote Similarity NPD6684 Approved
0.59 Remote Similarity NPD6409 Approved
0.59 Remote Similarity NPD5330 Approved
0.59 Remote Similarity NPD7334 Approved
0.59 Remote Similarity NPD7521 Approved
0.59 Remote Similarity NPD7146 Approved
0.59 Remote Similarity NPD6422 Discontinued
0.5888 Remote Similarity NPD7638 Approved
0.5847 Remote Similarity NPD7641 Discontinued
0.5842 Remote Similarity NPD3573 Approved
0.5833 Remote Similarity NPD7639 Approved
0.5833 Remote Similarity NPD7640 Approved
0.5784 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5784 Remote Similarity NPD6903 Approved
0.5776 Remote Similarity NPD4632 Approved
0.5773 Remote Similarity NPD4252 Approved
0.5772 Remote Similarity NPD7507 Approved
0.5769 Remote Similarity NPD5693 Phase 1
0.5755 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5752 Remote Similarity NPD5345 Clinical (unspecified phase)
0.575 Remote Similarity NPD6319 Approved
0.5729 Remote Similarity NPD4268 Approved
0.5729 Remote Similarity NPD5784 Clinical (unspecified phase)
0.5729 Remote Similarity NPD4271 Approved
0.5714 Remote Similarity NPD6399 Phase 3
0.5692 Remote Similarity NPD7966 Clinical (unspecified phase)
0.5691 Remote Similarity NPD7492 Approved
0.569 Remote Similarity NPD8297 Approved
0.5673 Remote Similarity NPD5207 Approved
0.5669 Remote Similarity NPD7260 Phase 2
0.5664 Remote Similarity NPD5697 Approved
0.566 Remote Similarity NPD6001 Approved
0.5652 Remote Similarity NPD2067 Discontinued
0.5645 Remote Similarity NPD6616 Approved
0.5645 Remote Similarity NPD8451 Approved
0.5645 Remote Similarity NPD8273 Phase 1
0.5635 Remote Similarity NPD7319 Approved
0.5631 Remote Similarity NPD5737 Approved
0.5631 Remote Similarity NPD6672 Approved
0.563 Remote Similarity NPD6009 Approved
0.562 Remote Similarity NPD6054 Approved
0.5619 Remote Similarity NPD7637 Suspended
0.5618 Remote Similarity NPD7341 Phase 2
0.5614 Remote Similarity NPD6899 Approved
0.5614 Remote Similarity NPD6881 Approved
0.561 Remote Similarity NPD7604 Phase 2
0.5607 Remote Similarity NPD5695 Phase 3
0.5603 Remote Similarity NPD6649 Approved
0.5603 Remote Similarity NPD2181 Clinical (unspecified phase)
0.5603 Remote Similarity NPD6650 Approved
0.5603 Remote Similarity NPD2204 Approved
0.56 Remote Similarity NPD6110 Phase 1
0.56 Remote Similarity NPD5331 Approved
0.56 Remote Similarity NPD8448 Approved
0.56 Remote Similarity NPD5332 Approved
0.56 Remote Similarity NPD7078 Approved

  Bioactivity similarity: Similar Natural Products in NPASS

Bioactivity similarity was calculated based on bioactivity descriptors of compounds. The bioactivity descriptors were calculated by a recently developed AI algorithm Chemical Checker (CC) [Nature Biotechnology, 38:1087–1096, 2020; Nature Communications, 12:3932, 2021], which evaluated bioactivity similarities at five levels:
☉ A: chemistry similarity;
☉ B: biological targets similarity;
☉ C: networks similarity;
☉ D: cell-based bioactivity similarity;
☉ E: similarity based on clinical data.

Those 5 categories of CC bioactivity descriptors were calculated and then subjected to manifold projection using UMAP algorithm, to project all NPs on a 2-Dimensional space. The current NP was highlighted with a small circle in the 2-D map. Below figures: left-to-right, A-to-E.

A: chemistry similarity
B: biological targets similarity
C: networks similarity
D: cell-based bioactivity similarity
E: similarity based on clinical data