Natural Product: NPC21126

Natural Product ID:  NPC21126
Common Name:   Patupilone
IUPAC Name:   (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
Synonyms:   GNF-Pf-193; Patupilone
Molecular Formula:   C27H41NO6S
Standard InCHIKey:  QXRSDHAAWVKZLJ-PVYNADRNSA-N
Standard InCHI:  InChI=1S/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1
Canonical SMILES:  O=C1O[C@@H](C[C@@H]2O[C@]2(C)CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](C1)O)(C)C)C)O)C)/C(=C/c1csc(n1)C)/C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   BGC0000988;BGC0000989;BGC0000990;BGC0000991 ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO32627 sorangium cellulosum, strains so ce90/b2 Species Polyangiaceae Bacteria PMID[11473410]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2089 Cell Line NCI-H1395 Homo sapiens IC50 = 54.89 nM 11908994
NPT2483 Cell Line SW13 Homo sapiens IC50 = 5.012 nM 17323995
NPT1991 Cell Line KU812 cell line IC50 = 3.454 nM 22652254
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 0.1 nM 19307369
NPT2078 Cell Line SK-UT-1 Homo sapiens IC50 = 0.8923 nM 19273668
NPT1506 Cell Line SK-MES-1 Homo sapiens IC50 = 1.244 nM 19902967
NPT2498 Cell Line KOSC-2 Homo sapiens IC50 = 2.833 nM 22014756
NPT2335 Cell Line NCI-H596 IC50 = 11.63 nM 17315926
NPT1981 Cell Line NCI-H1882 Homo sapiens IC50 = 319.36 nM 17315926
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 0.1 nM 24927000
NPT623 Cell Line NALM-6 Homo sapiens IC50 = 2.178 nM 8158164
NPT2048 Cell Line HCC1187 Homo sapiens IC50 = 22.63 nM 8676127
NPT2486 Cell Line IGR-1 Homo sapiens IC50 = 0.8634 nM 16989528
NPT1948 Cell Line A253 cell line IC50 = 10.31 nM 15568791
NPT388 Cell Line NCI-H322M Homo sapiens IC50 = 4464.24 nM 6747989
NPT2010 Cell Line NCI-H716 Homo sapiens IC50 = 3347.21 nM 19155103
NPT196 Cell Line AGS Homo sapiens IC50 = 2.577 nM PubChem BioAssay data set
NPT1577 Cell Line SW1573 Homo sapiens IC50 = 14.61 nM 184284
NPT181 Cell Line Bel-7402 Homo sapiens IC50 = 0.9 nM 23795891
NPT2 Others Unspecified IC50 > 100 nM 23795891
NPT2451 Cell Line NCI-H28 Homo sapiens IC50 = 22.03 nM 17958396
NPT1922 Cell Line COR-L88 Homo sapiens IC50 = 118.98 nM 17958396
NPT1963 Cell Line Becker Homo sapiens IC50 = 2.857 nM 17958396
NPT2114 Cell Line EW-3 Homo sapiens IC50 = 274.73 nM PubChem BioAssay data set
NPT2478 Cell Line NY Homo sapiens IC50 = 1.564 nM PubChem BioAssay data set
NPT2107 Cell Line PSN1 Homo sapiens IC50 = 0.1731 nM PubChem BioAssay data set
NPT2348 Cell Line HLE Homo sapiens IC50 = 0.08261 nM 20515062
NPT2510 Cell Line GCT Homo sapiens IC50 = 6.612 nM 21868221
NPT1908 Cell Line EC-GI-10 Homo sapiens IC50 = 63.71 nM 21868221
NPT1901 Cell Line EM-2 Homo sapiens IC50 = 49.55 nM 7807122
NPT2070 Cell Line LXF-289 cell line IC50 = 0.2269 nM 7807122
NPT403 Cell Line UACC-257 Homo sapiens GI50 0.1 nM 11754614
NPT1938 Cell Line Calu-6 Homo sapiens IC50 = 7.137 nM 7506311
NPT2344 Cell Line SK-MEL-24 Homo sapiens IC50 = 952.59 nM 22608855
NPT2174 Cell Line TE-8 Homo sapiens IC50 = 0.1111 nM 18342506
NPT2379 Cell Line P12-Ichikawa Homo sapiens IC50 = 11.02 nM PubChem BioAssay data set
NPT2481 Cell Line SW1088 Homo sapiens IC50 = 5.791 nM 22409377
NPT2116 Cell Line HCC2218 Homo sapiens IC50 = 30.8 nM 10.1016/j.cropro.2012.04.001
NPT2245 Cell Line SiHa Homo sapiens IC50 = 57.13 nM 10.1016/j.cropro.2012.04.001
NPT2124 Cell Line MRK-nu-1 Homo sapiens IC50 = 0.9001 nM 10.1016/j.cropro.2012.04.001
NPT1951 Cell Line CMK Homo sapiens IC50 = 1.326 nM 11782195
NPT2202 Cell Line TGBC1TKB Homo sapiens IC50 = 39.54 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens IC50 = 1.612 nM 22705020
NPT465 Cell Line NCI-N87 Homo sapiens IC50 = 30.3 nM 12502319
NPT374 Cell Line SF-539 Homo sapiens IC50 = 2.271 nM 21775154
NPT397 Cell Line NCI-H460 Homo sapiens IC50 = 0.3333 nM 2746258
NPT2311 Cell Line Calu-3 Homo sapiens IC50 = 1.683 nM 11678655
NPT2032 Cell Line HAL-01 Homo sapiens IC50 = 5.017 nM 23317013
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 0.1 nM 23368996
NPT2387 Cell Line KYSE-410 Homo sapiens IC50 = 1.023 nM 25581396
NPT2470 Cell Line G-402 Homo sapiens IC50 = 5.265 nM 10498214
NPT376 Cell Line A498 Homo sapiens IC50 = 61.3 nM 20303767
NPT371 Cell Line UO-31 Homo sapiens IC50 = 3.116 nM 18547115
NPT2500 Cell Line LCLC-103H cell line IC50 = 0.3096 nM 1800637
NPT845 Cell Line BT-474 Homo sapiens IC50 = 13.17 nM PubChem BioAssay data set
NPT1935 Cell Line BB65-RCC Homo sapiens IC50 = 0.6306 nM 18341287
NPT2408 Cell Line KYSE-70 cell line IC50 = 7.581 nM 25993496
NPT2132 Cell Line EOL1 Homo sapiens IC50 = 12.9 nM 25993496
NPT2067 Cell Line KARPAS-299 Homo sapiens IC50 = 170.31 nM 26218649
NPT2844 Cell Line MES-SA Homo sapiens IC50 = 1.975 nM 8699183
NPT4601 Cell Line EHEB Homo sapiens IC50 = 28.92 nM 17958396
NPT382 Cell Line OVCAR-5 Homo sapiens IC50 = 2.84 nM 17958396
NPT2409 Cell Line LU-99A Homo sapiens IC50 = 5.329 nM 17958396
NPT2057 Cell Line NCI-H1155 Homo sapiens IC50 = 57.89 nM 11325233
NPT2338 Cell Line SW48 Homo sapiens IC50 = 4.197 nM 17618015
NPT2192 Cell Line HEL Homo sapiens IC50 = 4.136 nM 22652254
NPT2354 Cell Line NCI-H2009 Homo sapiens IC50 = 0.8623 nM PubChem BioAssay data set
NPT1990 Cell Line J-RT3-T3-5 Homo sapiens IC50 = 13.48 nM PubChem BioAssay data set
NPT783 Cell Line MIA PaCa-2 Homo sapiens IC50 = 1.314 nM 20795741
NPT2022 Cell Line LS-513 Homo sapiens IC50 = 32.95 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens IC50 = 23.76 nM PubChem BioAssay data set
NPT2139 Cell Line NCI-H1581 Homo sapiens IC50 = 45.09 nM PubChem BioAssay data set
NPT2109 Cell Line SCH Homo sapiens IC50 = 2022.54 nM PubChem BioAssay data set
NPT2464 Cell Line MDA-MB-175-VII Homo sapiens IC50 = 421.11 nM PubChem BioAssay data set
NPT2412 Cell Line Panc1005 Homo sapiens IC50 = 1.12 nM 12502321
NPT308 Cell Line CAKI-1 Homo sapiens IC50 = 17.34 nM 16168652
NPT2134 Cell Line LB2518-MEL Homo sapiens IC50 = 17.61 nM 22365754
NPT4600 Cell Line DV-90 Homo sapiens IC50 = 14.64 nM 19422203
NPT369 Cell Line ACHN Homo sapiens GI50 0.1 nM 17190444
NPT2 Others Unspecified Potency 25574.8 nM 11678655
NPT392 Cell Line SNB-75 Homo sapiens GI50 0.1 nM 16872131
NPT2014 Cell Line SW872 Homo sapiens IC50 = 0.7737 nM 26287401
NPT2508 Cell Line SW1710 Homo sapiens IC50 = 0.02135 nM 22779787
NPT390 Cell Line LOX IMVI Homo sapiens GI50 0.1 nM 18500841
NPT2088 Cell Line MOLT-16 Homo sapiens IC50 = 3.413 nM 8411013
NPT455 Cell Line NCI-H522 Homo sapiens GI50 0.1 nM 15921419
NPT2274 Cell Line EFO-27 Homo sapiens IC50 = 1.691 nM 18831569
NPT2004 Cell Line LS-123 Homo sapiens IC50 = 0.9602 nM 19994846
NPT2112 Cell Line TE-1 Homo sapiens IC50 = 2.021 nM 11575949
NPT386 Cell Line KM12 Homo sapiens GI50 0.1 nM PubChem BioAssay data set
NPT2421 Cell Line PFSK-1 Homo sapiens IC50 = 13.32 nM PubChem BioAssay data set
NPT1910 Cell Line ECC4 Homo sapiens IC50 = 57.36 nM 11520225
NPT2502 Cell Line MEL-JUSO Homo sapiens IC50 = 0.9276 nM 12880315
NPT2077 Cell Line SCC-3 Homo sapiens IC50 = 110.46 nM 24697496
NPT4613 Cell Line SNU-475 Homo sapiens IC50 = 42.74 nM 9358643
NPT2158 Cell Line TE-441-T Homo sapiens IC50 = 26.34 nM 17243725
NPT2325 Cell Line BPH-1 Homo sapiens IC50 = 0.5205 nM 16441091
NPT1997 Cell Line OS-RC-2 Homo sapiens IC50 = 1.206 nM 18680278
NPT179 Cell Line A2780 Homo sapiens IC50 = 2.09 nM 16499327
NPT2270 Cell Line Detroit562 Homo sapiens IC50 = 1.404 nM 15787431
NPT2038 Cell Line NCI-H748 Homo sapiens IC50 = 43.03 nM 12828469
NPT1307 Cell Line Calu-1 Homo sapiens IC50 = 10.61 nM 12350139
NPT2450 Cell Line NCI-H2452 Homo sapiens IC50 = 278.65 nM 12852746
NPT1179 Cell Line MKN-28 Homo sapiens IC50 = 0.4616 nM 11931615
NPT1031 Cell Line Ca9-22 Homo sapiens IC50 = 1.131 nM 15808466
NPT2080 Cell Line EW-13 Homo sapiens IC50 = 0.9028 nM 6330360
NPT2292 Cell Line CAL-33 Homo sapiens IC50 = 1.515 nM 9379450
NPT114 Cell Line LoVo Homo sapiens IC50 = 1.847 nM 17962024
NPT2154 Cell Line SH-4 Homo sapiens IC50 = 7.728 nM 18674917
NPT2105 Cell Line NCI-H1436 Homo sapiens IC50 = 7.833 nM 17692433
NPT1970 Cell Line THP-1 Homo sapiens IC50 = 23.54 nM 10543891
NPT2465 Cell Line NCI-H1623 Homo sapiens IC50 = 16.87 nM 19608417
NPT1969 Cell Line TGW Homo sapiens IC50 = 13.48 nM 19914077
NPT2448 Cell Line KLE Homo sapiens IC50 = 40.4 nM 18694951
NPT2473 Cell Line MDA-MB-361 Homo sapiens IC50 = 16.53 nM PubChem BioAssay data set
NPT2317 Cell Line ChaGo-K-1 Homo sapiens IC50 = 9.612 nM 21093119
NPT4612 Cell Line SNG-M Homo sapiens IC50 = 0.5713 nM 20547793
NPT308 Cell Line CAKI-1 Homo sapiens GI50 0.1 nM 20350944
NPT2157 Cell Line SUP-T1 Homo sapiens IC50 = 33.9 nM 18625775
NPT1216 Cell Line FaDu Homo sapiens IC50 = 26.21 nM 18625775
NPT2468 Cell Line G-361 Homo sapiens IC50 = 0.7013 nM 21641699
NPT323 Cell Line SW-620 Homo sapiens GI50 0.1 nM 21959231
NPT367 Cell Line MDA-N Homo sapiens GI50 0.1 nM DrugMatrix in vitro pharmacology data
NPT2201 Cell Line SK-LMS-1 Homo sapiens IC50 = 0.646 nM DrugMatrix in vitro pharmacology data
NPT2332 Cell Line COLO-680N Homo sapiens IC50 = 7.165 nM DrugMatrix in vitro pharmacology data
NPT148 Cell Line HCT-15 Homo sapiens GI50 0.1 nM DrugMatrix in vitro pharmacology data
NPT2305 Cell Line CAL-85-1 Homo sapiens IC50 = 0.6617 nM DrugMatrix in vitro pharmacology data
NPT1907 Cell Line EB2 Homo sapiens IC50 = 3.693 nM DrugMatrix in vitro pharmacology data
NPT1982 Cell Line NCI-H1963 Homo sapiens IC50 = 11.97 nM DrugMatrix in vitro pharmacology data
NPT2364 Cell Line GP5d Homo sapiens IC50 = 3.087 nM 22071302
NPT5191 Cell Line 1A9/ptx-22 Homo sapiens IC50 = 0.31 nM 23036332
NPT2392 Cell Line S-117 Homo sapiens IC50 = 2508.45 nM 10.1007/s00044-011-9661-x
NPT1932 Cell Line CTV-1 Homo sapiens IC50 = 5.16 nM Open TG-GATES in vivo data: Hematology
NPT4602 Cell Line EFE-184 Homo sapiens IC50 = 115.95 nM Open TG-GATES in vivo data: Hematology
NPT4605 Cell Line CCF-STTG1 Homo sapiens IC50 = 5.826 nM Open TG-GATES in vivo data: Hematology
NPT2369 Cell Line NCI-H2052 Homo sapiens IC50 = 429.39 nM Open TG-GATES in vivo data: Hematology
NPT2086 Cell Line L-428 Homo sapiens IC50 = 46.25 nM Open TG-GATES in vivo data: Hematology
NPT1933 Cell Line CW-2 Homo sapiens IC50 = 7006.87 nM Open TG-GATES in vivo data: Organ Weight
NPT458 Cell Line IGROV-1 Homo sapiens GI50 0.1 nM Open TG-GATES in vivo data: Biochemistry
NPT158 Individual Protein Nuclear receptor subfamily 1 group I member 2 Rattus norvegicus EC50 = 10 nM Open TG-GATES in vivo data: Biochemistry
NPT399 Cell Line SF-295 Homo sapiens GI50 0.1 nM Open TG-GATES in vivo data: Biochemistry
NPT2288 Cell Line AN3-CA Homo sapiens IC50 = 0.4522 nM Open TG-GATES in vivo data: Biochemistry
NPT2081 Cell Line HCC1599 Homo sapiens IC50 = 11.89 nM DrugMatrix in vivo data: Pathology
NPT2472 Cell Line HuP-T4 Homo sapiens IC50 = 2.536 nM DrugMatrix in vivo data: Pathology
NPT2045 Cell Line ETK-1 Homo sapiens IC50 = 0.9788 nM DrugMatrix in vivo data: Biochemistry
NPT90 Cell Line DU-145 Homo sapiens GI50 0.1 nM DrugMatrix in vivo data: Hematology
NPT1184 Cell Line Daoy Homo sapiens IC50 = 0.02733 nM DrugMatrix in vivo data: Hematology
NPT2475 Cell Line NCI-H1651 Homo sapiens IC50 = 3.712 nM 15646539
NPT170 Cell Line SK-MEL-28 Homo sapiens IC50 = 659.83 nM 26209266
NPT2279 Cell Line COLO-792 Homo sapiens IC50 = 467.37 nM 10411485
NPT2178 Cell Line KNS-81-FD Homo sapiens IC50 = 84.25 nM 26331426
NPT2429 Cell Line HT55 Homo sapiens IC50 = 42.54 nM 24195466
NPT2 Others Unspecified ED50 = 1 nM 21182258
NPT2494 Cell Line RMG-I Homo sapiens IC50 = 35.3 nM 17190450
NPT2303 Cell Line 647-V Homo sapiens IC50 = 2.416 nM 20346682
NPT2047 Cell Line HC-1 Homo sapiens IC50 = 3.981 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 0.1 nM 8277308
NPT1917 Cell Line CA46 Homo sapiens IC50 = 9.61 nM 8277308
NPT2097 Cell Line EW-16 Homo sapiens IC50 = 1.063 nM 8277308
NPT1998 Cell Line RS4-11 Homo sapiens IC50 = 2.017 nM 8277308
NPT4616 Cell Line SK-CO-1 Homo sapiens IC50 = 9.13 nM 23634786
NPT1900 Cell Line DU-4475 Homo sapiens IC50 = 2.382 nM 17958396
NPT111 Cell Line K562 Homo sapiens IC50 = 6.886 nM 11473423
NPT1950 Cell Line BL-70 Homo sapiens IC50 = 2.16 nM 15974607
NPT658 Cell Line HT1197 Homo sapiens IC50 = 34.55 nM 25314007
NPT2491 Cell Line NCI-H1693 Homo sapiens IC50 = 634.13 nM 24467317
NPT5191 Cell Line 1A9/ptx-22 Homo sapiens IC50 = 0.31 nM 20666364
NPT310 Cell Line 1A9/ptx-10 Homo sapiens IC50 = 1 nM 20666364
NPT309 Cell Line 1A9 Homo sapiens IC50 = 0.13 nM 20666364
NPT2103 Cell Line MONO-MAC-6 Homo sapiens IC50 = 17.36 nM 9134742
NPT10 Individual Protein Geminin Homo sapiens Potency 3349.8 nM 25747495
NPT2463 Cell Line MDA-MB-157 Homo sapiens IC50 = 945.71 nM 26371504
NPT1383 Cell Line A2058 Homo sapiens IC50 = 0.6008 nM 19711971
NPT1229 Cell Line Huh-7 Homo sapiens IC50 = 7.111 nM 10924160
NPT1928 Cell Line ATN-1 Homo sapiens IC50 = 3.465 nM 10924160
NPT2006 Cell Line MHH-PREB-1 Homo sapiens IC50 = 7.508 nM PubChem BioAssay data set
NPT2300 Cell Line CAL-54 Homo sapiens IC50 = 170.76 nM 9599272
NPT81 Cell Line A549 Homo sapiens GI50 0.1 nM 6579306
NPT391 Cell Line HCC 2998 Homo sapiens GI50 0.1 nM 7932574
NPT2334 Cell Line NCI-H1793 Homo sapiens IC50 = 21.02 nM 3351854
NPT2203 Cell Line GDM-1 Homo sapiens IC50 = 4.305 nM 20194695
NPT379 Cell Line HOP-62 Homo sapiens GI50 0.1 nM DrugMatrix in vitro pharmacology data
NPT762 Cell Line A-431 Homo sapiens IC50 = 0.009861 nM DrugMatrix in vitro pharmacology data
NPT2122 Cell Line MC116 Homo sapiens IC50 = 3.865 nM 7585598
NPT1313 Cell Line Capan-2 Homo sapiens IC50 = 30.05 nM PubChem BioAssay data set
NPT2282 Cell Line C32 Homo sapiens IC50 = 1912.59 nM 19006668
NPT2395 Cell Line KYSE-450 Homo sapiens IC50 = 0.2674 nM 26316467
NPT2066 Cell Line EW-11 Homo sapiens IC50 = 50.72 nM 23022281
NPT890 Cell Line SNU-387 Homo sapiens IC50 = 20 nM 23022281
NPT4783 Cell Line SNU-398 Homo sapiens IC50 = 2.9 nM 23153007
NPT2326 Cell Line BT-20 Homo sapiens IC50 = 5.097 nM 19795885
NPT65 Cell Line HepG2 Homo sapiens IC50 = 44.7 nM 25556102
NPT1229 Cell Line Huh-7 Homo sapiens IC50 = 4.5 nM 25556102
NPT1923 Cell Line DMS-153 Homo sapiens IC50 = 29.33 nM 22276851
NPT2356 Cell Line NCI-H661 Homo sapiens IC50 = 30.09 nM 17060520
NPT2003 Cell Line LS-1034 Homo sapiens IC50 = 0.912 nM 20359898
NPT2320 Cell Line BFTC-909 Homo sapiens IC50 = 1.557 nM 20934342
NPT2054 Cell Line LU-165 Homo sapiens IC50 = 117.25 nM PubChem BioAssay data set
NPT543 Individual Protein Pregnane X receptor Homo sapiens EC50 = 12600 nM DrugMatrix in vitro pharmacology data
NPT4609 Cell Line HCC1143 Homo sapiens IC50 = 106.5 nM DrugMatrix in vitro pharmacology data
NPT139 Cell Line HT-29 Homo sapiens GI50 0.1 nM DrugMatrix in vitro pharmacology data
NPT2373 Cell Line KYSE-150 cell line IC50 = 0.4989 nM PubChem BioAssay data set
NPT2044 Cell Line SW 962 Homo sapiens IC50 = 1.036 nM 21282406
NPT2118 Cell Line KGN Homo sapiens IC50 = 0.6173 nM DailyMed
NPT2164 Cell Line KMS-12-PE Homo sapiens IC50 = 50.95 nM DailyMed
NPT1884 Cell Line HCC1937 Homo sapiens IC50 = 40.11 nM 10.1016/0960-894X(96)00083-2
NPT2488 Cell Line MDA-MB-453 Homo sapiens IC50 = 83.15 nM PubChem BioAssay data set
NPT2000 Cell Line GR-ST Homo sapiens IC50 = 3.907 nM 24328269
NPT2407 Cell Line HCC1419 Homo sapiens IC50 = 61.19 nM 24387347
NPT1091 Cell Line RPMI-7951 Homo sapiens IC50 = 1.049 nM 9544568
NPT2398 Cell Line MKN-7 Homo sapiens IC50 = 82.83 nM 17580847
NPT380 Cell Line U-251 Homo sapiens IC50 = 10.8 nM 22439591
NPT2159 Cell Line TE-5 Homo sapiens IC50 = 3.044 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 0.1 nM 10.6019/CHEMBL1201861
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 0.1 nM 10.6019/CHEMBL1201861
NPT2169 Cell Line MZ7-mel Homo sapiens IC50 = 17.1 nM 10.6019/CHEMBL1201861
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 0.1 nM 10.6019/CHEMBL1201861
NPT2328 Cell Line COLO-678 Homo sapiens IC50 = 1253.12 nM 10.6019/CHEMBL1201861
NPT2100 Cell Line KG-1 IC50 = 5.098 nM 10.6019/CHEMBL1201861
NPT2175 Cell Line GAK Homo sapiens IC50 = 13.53 nM 10.6019/CHEMBL1201861
NPT2119 Cell Line KINGS-1 Homo sapiens IC50 = 34.69 nM 10.6019/CHEMBL1201861
NPT2024 Cell Line NCI-H209 Homo sapiens IC50 = 20.86 nM 25798528
NPT2495 Cell Line SW1417 Homo sapiens IC50 = 324.99 nM 23999046
NPT924 Cell Line HSC-2 Homo sapiens IC50 = 0.3625 nM 20621475
NPT404 Cell Line CCRF-CEM Homo sapiens IC50 = 2.94 nM 18680278
NPT2206 Cell Line IST-MES1 Homo sapiens IC50 = 54.65 nM 17101680
NPT1914 Cell Line COLO-824 Homo sapiens IC50 = 23.31 nM 23964704
NPT2161 Cell Line no-11 Homo sapiens IC50 = 51.73 nM 15974602
NPT2 Others Unspecified ED50 = 0.0012 nM 10425121
NPT2419 Cell Line HT-1376 Homo sapiens IC50 = 21.23 nM 22280481
NPT1925 Cell Line CAL-148 Homo sapiens IC50 = 6.258 nM 15921441
NPT2438 Cell Line HTC-C3 Homo sapiens IC50 = 2.941 nM 8158155
NPT2461 Cell Line HuO-3N1 Homo sapiens IC50 = 424.73 nM 22552195
NPT2177 Cell Line HDLM-2 Homo sapiens IC50 = 19.46 nM 20851614
NPT2056 Cell Line MLMA Homo sapiens IC50 = 14.06 nM 11374943
NPT1945 Cell Line CHP-126 Homo sapiens IC50 = 58.34 nM 11374943
NPT2358 Cell Line SK-MEL3 Homo sapiens IC50 = 20.88 nM 25310730
NPT3467 Cell Line SJRH30 Homo sapiens IC50 = 12.95 nM 9341921
NPT80 Cell Line Raji Homo sapiens IC50 = 104.92 nM 9572888
NPT2455 Cell Line SNU-C2B Homo sapiens IC50 = 4.297 nM PubChem BioAssay data set
NPT1178 Cell Line KB 3-1 Homo sapiens IC50 = 0.19 nM PubChem BioAssay data set
NPT1081 Cell Line BXPC-3 Homo sapiens IC50 = 1.737 nM PubChem BioAssay data set
NPT2460 Cell Line HCE-4 Homo sapiens IC50 = 1.305 nM 222908
NPT2411 Cell Line NCI-H2228 Homo sapiens IC50 = 0.4727 nM 3236014
NPT2401 Cell Line PANC-03-27 Homo sapiens IC50 = 0.132 nM PubChem BioAssay data set
NPT2152 Cell Line NTERA-2-cl-D1 Homo sapiens IC50 = 0.7182 nM 10924160
NPT2209 Cell Line MFH-ino Homo sapiens IC50 = 0.8849 nM 10924160
NPT2426 Cell Line HCC1806 Homo sapiens IC50 = 1.38 nM PubChem BioAssay data set
NPT2378 Cell Line NCI-H727 Homo sapiens IC50 = 1.796 nM 15387639
NPT445 Individual Protein Peripheral myelin protein 22 Rattus norvegicus Potency 11.2 nM 10543907
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 0.4581 nM 15043446
NPT83 Cell Line MCF7 Homo sapiens GI50 0.1 nM 20405845
NPT2163 Cell Line KMOE-2 Homo sapiens IC50 = 64.56 nM 20405845
NPT407 Cell Line COLO 205 Homo sapiens GI50 0.1 nM 11678655
NPT4618 Cell Line NCI-H1734 Homo sapiens IC50 = 15.97 nM 26951751
NPT2009 Cell Line NCI-H2081 Homo sapiens IC50 = 45.96 nM 18177014
NPT1942 Cell Line CESS Homo sapiens IC50 = 3.379 nM 18247569
NPT2190 Cell Line GB-1 Homo sapiens IC50 = 1.189 nM 24387703
NPT2350 Cell Line HN Homo sapiens IC50 = 303.5 nM 24547740
NPT2167 Cell Line LB996-RCC Homo sapiens IC50 = 6.031 nM 8021914
NPT1920 Cell Line ALL-PO Homo sapiens IC50 = 1.469 nM 24128115
NPT4610 Cell Line NCI-H838 Homo sapiens IC50 = 11.78 nM 25597012
NPT2428 Cell Line HT-3 Homo sapiens IC50 = 14.97 nM PubChem BioAssay data set
NPT2036 Cell Line NCI-H1092 Homo sapiens IC50 = 111.33 nM 20061160
NPT1968 Cell Line OMC-1 Homo sapiens IC50 = 36.33 nM 15921415
NPT2507 Cell Line RPMI-2650 Homo sapiens IC50 = 2.083 nM 19199645
NPT2 Others Unspecified Activity = 9 % 25734332
NPT2 Others Unspecified Activity = 31 % 25734332
NPT2 Others Unspecified Activity = 79 % 25734332
NPT2 Others Unspecified Activity = 9 % 19296617
NPT2 Others Unspecified Activity = 76 % 17988097
NPT2 Others Unspecified Activity = 33 % 16154746
NPT2071 Cell Line MMAC-SF Homo sapiens IC50 = 23.04 nM 10.1021/np50015a016
NPT2102 Cell Line MC-CAR Homo sapiens IC50 = 9.733 nM 19585998
NPT1358 Cell Line LAMA-84 Homo sapiens IC50 = 18.88 nM 22385216
NPT464 Cell Line Daudi Homo sapiens IC50 = 24.77 nM 20553004
NPT368 Cell Line SN12C Homo sapiens IC50 = 9.392 nM 8759169
NPT1918 Cell Line DMS-79 Homo sapiens IC50 = 562.93 nM 9784163
NPT1653 Cell Line WM-115 Homo sapiens IC50 = 1139.14 nM 8759163
NPT2391 Cell Line NCI-H810 Homo sapiens IC50 = 0.3221 nM 19296617
NPT2361 Cell Line SW780 Homo sapiens IC50 = 4237.97 nM 19880317
NPT1773 Cell Line ME-180 Homo sapiens IC50 = 5.737 nM 19548690
NPT2295 Cell Line 5637 Homo sapiens IC50 = 0.6382 nM 18831569
NPT406 Cell Line RXF 393 Homo sapiens IC50 = 3.41 nM 23336337
NPT2312 Cell Line 8305C Homo sapiens IC50 = 2.324 nM 25871261
NPT550 Cell Line T-24 Homo sapiens IC50 = 20.65 nM 7473578
NPT1958 Cell Line A388 Homo sapiens IC50 = 0.9397 nM 16872140
NPT2457 Cell Line YKG-1 Homo sapiens IC50 = 1.238 nM 10727804
NPT2034 Cell Line LU-134-A Homo sapiens IC50 = 15.75 nM 19117486
NPT2377 Cell Line NCI-H2087 Homo sapiens IC50 = 3.107 nM 17583950
NPT2189 Cell Line TE-9 Homo sapiens IC50 = 1.568 nM 18359631
NPT2287 Cell Line COR-L23 Homo sapiens IC50 = 1.353 nM 15921421
NPT386 Cell Line KM12 Homo sapiens IC50 = 2.236 nM 23519677
NPT1903 Cell Line ES5 Homo sapiens IC50 = 4177.96 nM 10.6019/CHEMBL1201861
NPT310 Cell Line 1A9/ptx-10 Homo sapiens IC50 = 1 nM 10.6019/CHEMBL1201861
NPT309 Cell Line 1A9 Homo sapiens IC50 = 0.13 nM 10.6019/CHEMBL1201861
NPT2041 Cell Line P31-FUJ Homo sapiens IC50 = 6177.42 nM 10.6019/CHEMBL1201861
NPT2435 Cell Line VM-CUB-1 Homo sapiens IC50 = 3.087 nM 25211145
NPT387 Cell Line M14 Homo sapiens IC50 = 37.33 nM 23819826
NPT2410 Cell Line NCI-H1299 Homo sapiens IC50 = 0.88 nM 15387639
NPT2321 Cell Line BHT-101 Homo sapiens IC50 = 1.519 nM 19481938
NPT2162 Cell Line HCE-T Homo sapiens IC50 = 4.068 nM 17696332
NPT1927 Cell Line ARH-77 Homo sapiens IC50 = 6.13 nM 17696332
NPT2458 Cell Line FTC-133 Homo sapiens IC50 = 30.46 nM 18672864
NPT1884 Cell Line HCC1937 Homo sapiens Inhibition = 0 % 19733087
NPT1884 Cell Line HCC1937 Homo sapiens IC50 > 10000 nM 19733087
NPT147 Cell Line SK-MEL-2 Homo sapiens IC50 = 7.191 nM 9134742
NPT2 Others Unspecified IC50 = 12.7 nM 9134742
NPT2 Others Unspecified IC50 = 22.3 nM 16562846
NPT2365 Cell Line HO-1-N-1 Homo sapiens IC50 = 1.656 nM 15974617
NPT2113 Cell Line EW-24 Homo sapiens IC50 = 68.73 nM 23501116
NPT377 Cell Line OVCAR-3 Homo sapiens IC50 = 4.132 nM 23501116
NPT368 Cell Line SN12C Homo sapiens GI50 0.1 nM 22413887
NPT2436 Cell Line VMRC-RCZ Homo sapiens IC50 = 0.1355 nM 9514009
NPT1905 Cell Line ES4 Homo sapiens IC50 = 0.7395 nM 15921426
NPT379 Cell Line HOP-62 Homo sapiens IC50 = 1.044 nM 16180824
NPT2368 Cell Line NCI-H2030 Homo sapiens IC50 = 0.6991 nM 16309311
NPT394 Cell Line EKVX Homo sapiens GI50 0.1 nM 15730238
NPT2474 Cell Line MDA-MB-415 Homo sapiens IC50 = 20 nM 8882436
NPT2441 Cell Line NCI-H2347 Homo sapiens IC50 = 38.51 nM 24754786
NPT1965 Cell Line DEL Homo sapiens IC50 = 4.293 nM 24547794
NPT2090 Cell Line SNU-16 Homo sapiens IC50 = 31 nM 24484201
NPT2469 Cell Line G-401 Homo sapiens IC50 = 1.509 nM 25946116
NPT396 Cell Line T47D Homo sapiens GI50 0.1 nM 15261267
NPT2194 Cell Line IMR-5 Homo sapiens IC50 = 9.506 nM 16040241
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 0.1 nM 17276071
NPT1986 Cell Line RPMI 8402 Homo sapiens IC50 = 4.451 nM 17257839
NPT1994 Cell Line MHH-CALL-2 Homo sapiens IC50 = 943.52 nM 11520236
NPT2324 Cell Line CHP-212 Homo sapiens IC50 = 5.828 nM 17470660
NPT2443 Cell Line SNU-449 Homo sapiens IC50 = 19.9 nM 17620383
NPT2370 Cell Line RVH-421 Homo sapiens IC50 = 14.32 nM 19884366
NPT323 Cell Line SW-620 Homo sapiens IC50 = 0.6481 nM 19752282
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 4.687 nM 18955526
NPT2027 Cell Line SK-N-DZ Homo sapiens IC50 = 7.593 nM 18955526
NPT1915 Cell Line COLO-829 Homo sapiens IC50 = 575.7 nM 18955526
NPT2447 Cell Line HuCCT-1 Homo sapiens IC50 = 2.609 nM 18838581
NPT6 Organism Plasmodium falciparum Plasmodium falciparum EC50 = 4.09 nM 18955526
NPT2073 Cell Line NCI-H1304 Homo sapiens IC50 = 17.51 nM 18955526
NPT1976 Cell Line LNCaP-Clone-FGC Homo sapiens IC50 = 4.258 nM 18443129
NPT2147 Cell Line LB647-SCLC Homo sapiens IC50 = 3.096 nM 18443129
NPT395 Cell Line SF-268 Homo sapiens GI50 0.1 nM 19124664
NPT2272 Cell Line EFM-19 Homo sapiens IC50 = 10.61 nM 19332670
NPT2084 Cell Line KARPAS-45 Homo sapiens IC50 = 5.818 nM 19223615
NPT2453 Cell Line RCM-1 Homo sapiens IC50 = 15.22 nM 19223615
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 24.61 nM 19506058
NPT2015 Cell Line U-266 Homo sapiens IC50 = 9.719 nM 19786606
NPT2151 Cell Line NCI-H345 Homo sapiens IC50 = 2111.57 nM 19596873
NPT2396 Cell Line KYSE-510 Homo sapiens IC50 = 0.07379 nM 19581457
NPT1312 Cell Line SW1990 Homo sapiens IC50 = 33.2 nM 20585113
NPT2489 Cell Line MeWo Homo sapiens IC50 = 759.64 nM 20921306
NPT2402 Cell Line PANC-08-13 Homo sapiens IC50 = 31.13 nM 20498317
NPT2424 Cell Line T84 Homo sapiens IC50 = 0.2398 nM DrugMatrix in vitro pharmacology data
NPT2499 Cell Line KP-4 Homo sapiens IC50 = 0.6818 nM 22079864
NPT2496 Cell Line SW1463 Homo sapiens IC50 = 51.7 nM 22901391
NPT2375 Cell Line MKN-1 Homo sapiens IC50 = 2.648 nM 10.1007/s00044-009-9228-2
NPT2062 Cell Line SCC-15 Homo sapiens IC50 = 5.981 nM 10.1007/s00044-013-0541-4
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 1.3 nM 10.1007/s00044-012-0301-x
NPT1957 Cell Line D-502MG Homo sapiens IC50 = 111.01 nM 23357308
NPT2017 Cell Line ES7 Homo sapiens IC50 = 5.871 nM DrugMatrix in vivo data: Pathology
NPT2093 Cell Line PF-382 Homo sapiens IC50 = 8.684 nM DrugMatrix in vivo data: Biochemistry
NPT2385 Cell Line HSC-3 Homo sapiens IC50 = 0.7862 nM 24694215
NPT2294 Cell Line 23132-87 Homo sapiens IC50 = 3.665 nM 26765953
NPT2095 Cell Line TALL-1 Homo sapiens IC50 = 1863.1 nM 8277312
NPT2415 Cell Line SKG-IIIa Homo sapiens IC50 = 32.31 nM 19113894
NPT2476 Cell Line NCI-H441 Homo sapiens IC50 = 2.526 nM 15481972
NPT2433 Cell Line SNU-423 Homo sapiens IC50 = 1.666 nM 15481972
NPT1973 Cell Line IST-SL1 Homo sapiens IC50 = 6.374 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 0.1 nM 18986200
NPT369 Cell Line ACHN Homo sapiens IC50 = 0.7486 nM 12502326
NPT111 Cell Line K562 Homo sapiens GI50 0.1 nM 26295746
NPT2 Others Unspecified Activity = 5.1 % 21381696
NPT2 Others Unspecified Activity = 56.3 % 12822931
NPT2 Others Unspecified Activity = 5.4 % 12822931
NPT1921 Cell Line COR-L279 Homo sapiens IC50 = 9.273 nM 16499321
NPT307 Cell Line HOS Homo sapiens IC50 = 0.2152 nM 16417306
NPT403 Cell Line UACC-257 Homo sapiens IC50 = 29.72 nM 18952419
NPT2204 Cell Line HH Homo sapiens IC50 = 9.802 nM 9514015
NPT2506 Cell Line RO82-W-1 Homo sapiens IC50 = 433.97 nM 19708637
NPT1964 Cell Line COLO-684 Homo sapiens IC50 = 6.97 nM 23683594
NPT2120 Cell Line LB1047-RCC Homo sapiens IC50 = 1.998 nM 19284743
NPT453 Cell Line HT-1080 Homo sapiens IC50 = 0.8424 nM 17618015
NPT397 Cell Line NCI-H460 Homo sapiens GI50 0.1 nM 19368377
NPT2042 Cell Line SBC-1 Homo sapiens IC50 = 920.42 nM 25136911
NPT2138 Cell Line MSTO-211H Homo sapiens IC50 = 4670.91 nM 23734744
NPT1899 Cell Line DSH1 Homo sapiens IC50 = 298.63 nM 15620246
NPT2108 Cell Line QIMR-WIL Homo sapiens IC50 = 1.186 nM 7911157
NPT2160 Cell Line no-10 Homo sapiens IC50 = 5.564 nM PubChem BioAssay data set
NPT2302 Cell Line 639-V Homo sapiens IC50 = 0.218 nM 10.1584/jpestics.27.127
NPT2363 Cell Line U-118-MG Homo sapiens IC50 = 17.98 nM 19555124
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 0.1 nM 1431933
NPT2110 Cell Line SCLC-21H Homo sapiens IC50 = 7.591 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens IC50 = 6.712 nM 22361132
NPT2280 Cell Line A704 Homo sapiens IC50 = 14.6 nM 19921834
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 0.1 nM 23434030
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 0.1 nM 23434131
NPT2360 Cell Line SW756 Homo sapiens IC50 = 38.94 nM 1294693
NPT1975 Cell Line KS-1 Homo sapiens IC50 = 1.759 nM 15559249
NPT2011 Cell Line NCI-H719 Homo sapiens IC50 = 206.03 nM 12608856
NPT2440 Cell Line NCI-H1563 Homo sapiens IC50 = 41.84 nM PubChem BioAssay data set
NPT2092 Cell Line NEC8 Homo sapiens IC50 = 3.53 nM PubChem BioAssay data set
NPT2467 Cell Line RERF-LC-MS Homo sapiens IC50 = 24.5 nM 1708405
NPT2193 Cell Line IM-9 Homo sapiens IC50 = 96.46 nM PubChem BioAssay data set
NPT576 Cell Line DMS-114 Homo sapiens IC50 = 64.83 nM 10.6019/CHEMBL1201861
NPT2304 Cell Line CAL-72 Homo sapiens IC50 = 123.19 nM 10.6019/CHEMBL1201861
NPT1955 Cell Line A3-KAW Homo sapiens IC50 = 6.057 nM 10.6019/CHEMBL1201861
NPT2268 Cell Line DOK Homo sapiens IC50 = 955.06 nM 10.6019/CHEMBL1201861
NPT2121 Cell Line LB2241-RCC Homo sapiens IC50 = 5.548 nM 10.6019/CHEMBL1201861
NPT2281 Cell Line ABC-1 Homo sapiens IC50 = 1.675 nM 10.6019/CHEMBL1201861
NPT2290 Cell Line CAL-27 Homo sapiens IC50 = 1.387 nM 10.6019/CHEMBL1201861
NPT2130 Cell Line TE-10 Homo sapiens IC50 = 0.7192 nM 16933872
NPT2039 Cell Line NCI-H82 Homo sapiens IC50 = 36.63 nM PubChem BioAssay data set
NPT2176 Cell Line HD-MY-Z Homo sapiens IC50 = 23.27 nM PubChem BioAssay data set
NPT2128 Cell Line RCC10RGB Homo sapiens IC50 = 19.69 nM 9514009
NPT1972 Cell Line GI-ME-N Homo sapiens IC50 = 6.085 nM 23294419
NPT1669 Cell Line NCI-H1792 Homo sapiens IC50 = 8.278 nM 26034885
NPT2007 Cell Line NB6 Homo sapiens IC50 = 17.54 nM 26034885
NPT2504 Cell Line NCI-H1755 Homo sapiens IC50 = 87.37 nM 26034885
NPT393 Cell Line HCT-116 Homo sapiens GI50 0.1 nM 12088425
NPT1094 Cell Line 697 Homo sapiens IC50 = 1.781 nM 16413779
NPT2382 Cell Line SW948 Homo sapiens IC50 = 17.77 nM 24927000
NPT2183 Cell Line NCI-H1694 Homo sapiens IC50 = 69.12 nM 24927000
NPT1929 Cell Line CPC-N Homo sapiens IC50 = 10.69 nM 1982768
NPT398 Cell Line UACC-62 Homo sapiens GI50 0.1 nM 17844994
NPT2082 Cell Line HT-144 Homo sapiens IC50 = 1.72 nM 2537428
NPT2076 Cell Line NCI-H2227 Homo sapiens IC50 = 2937.33 nM 9834145
NPT3882 Cell Line MFE-296 Homo sapiens IC50 = 2.684 nM 15974623
NPT371 Cell Line UO-31 Homo sapiens GI50 0.1 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 0.1 nM 25946116
NPT2318 Cell Line A172 Homo sapiens IC50 = 1.924 nM 25856683
NPT1989 Cell Line GOTO Homo sapiens IC50 = 73.03 nM 25856683
NPT1229 Cell Line Huh-7 Homo sapiens CC50 > 6250 nM 19674905
NPT2065 Cell Line EW-1 Homo sapiens IC50 = 1.903 nM 9873631
NPT1988 Cell Line SW684 Homo sapiens IC50 = 3094.52 nM 10395485
NPT2297 Cell Line ASPC1 Homo sapiens IC50 = 143.67 nM 10395485
NPT1934 Cell Line BB49-HNC Homo sapiens IC50 = 146.92 nM 10395485
NPT2688 Organism Sus scrofa Sus scrofa EC50 = 670 nM 10465531
NPT91 Cell Line KB Homo sapiens IC50 = 0.18 nM 15125972
NPT1906 Cell Line EB-3 Homo sapiens IC50 = 97.89 nM 12620081
NPT2351 Cell Line MG-63 Homo sapiens IC50 = 0.1647 nM 12459024
NPT2051 Cell Line K5 Homo sapiens IC50 = 5.585 nM 15456257
NPT4614 Cell Line EW-7 Homo sapiens IC50 = 2.245 nM 17459529
NPT2 Others Unspecified IC50 = 14.8 nM 18507368
NPT2 Others Unspecified IC50 = 1.8 nM 18513974
NPT2353 Cell Line NCI-H1993 Homo sapiens IC50 = 84.73 nM 19954977
NPT401 Cell Line 786-0 Homo sapiens IC50 = 0.1104 nM 21115210
NPT784 Cell Line MDA-MB-468 Homo sapiens IC50 = 1.753 nM 21601964
NPT2512 Cell Line LCLC-97TM1 Homo sapiens IC50 = 0.4441 nM 11602674
NPT2106 Cell Line NH-12 Homo sapiens IC50 = 0.8914 nM DrugMatrix in vitro pharmacology data
NPT2199 Cell Line OCUB-M Homo sapiens IC50 = 1.025 nM DrugMatrix in vitro pharmacology data
NPT2013 Cell Line SK-MM-2 Homo sapiens IC50 = 17.25 nM DrugMatrix in vitro pharmacology data
NPT2283 Cell Line DK-MG Homo sapiens IC50 = 35.82 nM DrugMatrix in vitro pharmacology data
NPT4458 Cell Line Caov-3 cell line IC50 = 13.87 nM DrugMatrix in vitro pharmacology data
NPT401 Cell Line 786-0 Homo sapiens GI50 0.1 nM 22194678
NPT311 Cell Line SK-LU-1 Homo sapiens IC50 = 0.8665 nM 12699389
NPT1979 Cell Line NB13 Homo sapiens IC50 = 0.447 nM 23182091
NPT2182 Cell Line Mo Homo sapiens IC50 = 653.83 nM 23321564
NPT2509 Cell Line SW1783 Homo sapiens IC50 = 1.484 nM 23454511
NPT2055 Cell Line ML-2 Homo sapiens IC50 = 2.463 nM 10.6019/CHEMBL1201861
NPT2484 Cell Line GAMG Homo sapiens IC50 = 1.785 nM 10.6019/CHEMBL1201861
NPT372 Cell Line HOP-92 Homo sapiens GI50 0.1 nM 10.6019/CHEMBL1201861
NPT385 Cell Line SR Homo sapiens GI50 0.1 nM 10.6019/CHEMBL1201861
NPT2347 Cell Line GMS-10 Homo sapiens IC50 = 106.19 nM Open TG-GATES in vivo data: Hematology
NPT2149 Cell Line MZ1-PC Homo sapiens IC50 = 0.6069 nM Open TG-GATES in vivo data: Hematology
NPT2397 Cell Line KYSE-520 cell line IC50 = 10.44 nM Open TG-GATES in vivo data: Biochemistry
NPT2443 Cell Line SNU-449 Homo sapiens IC50 = 1.905 nM Open TG-GATES in vivo data: Biochemistry
NPT2115 Cell Line HCC2157 Homo sapiens IC50 = 1.284 nM Open TG-GATES in vivo data: Biochemistry
NPT4613 Cell Line SNU-475 Homo sapiens IC50 = 11.6 nM Open TG-GATES in vivo data: Biochemistry
NPT1125 Cell Line T98G Homo sapiens IC50 = 19.96 nM Open TG-GATES in vivo data: Biochemistry
NPT2442 Cell Line NCI-H2405 Homo sapiens IC50 = 12.65 nM Open TG-GATES in vivo data: Biochemistry
NPT2515 Cell Line MFE-280 Homo sapiens IC50 = 82.01 nM Open TG-GATES in vivo data: Biochemistry
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 0.1 nM Open TG-GATES in vivo data: Biochemistry
NPT2286 Cell Line CAL-120 Homo sapiens IC50 = 10.12 nM DrugMatrix in vivo data: Pathology
NPT402 Cell Line Hs-578T Homo sapiens IC50 = 115.35 nM DrugMatrix in vivo data: Biochemistry
NPT2207 Cell Line KP-N-YN Homo sapiens IC50 = 69.64 nM DrugMatrix in vivo data: Biochemistry
NPT2153 Cell Line RH-1 Homo sapiens IC50 = 0.9968 nM 25700232
NPT2180 Cell Line LC-2-ad Homo sapiens IC50 = 0.003774 nM 26355532
NPT2018 Cell Line GT3TKB Homo sapiens IC50 = 0.6555 nM 26711149
NPT2425 Cell Line UMC-11 Homo sapiens IC50 = 64.42 nM 26595875
NPT2 Others Unspecified IC50 = 61.3 nM 26618211
NPT2315 Cell Line BFTC-905 Homo sapiens IC50 = 0.04994 nM 23972215
NPT116 Cell Line HL-60 Homo sapiens GI50 0.1 nM 22731892
NPT383 Cell Line SNB-19 Homo sapiens GI50 0.1 nM PubChem BioAssay data set
NPT1892 Cell Line H4 Rattus norvegicus IC50 = 0.975 nM PubChem BioAssay data set
NPT2028 Cell Line SK-N-FI Homo sapiens IC50 = 953.88 nM 19056262
NPT2329 Cell Line COLO-679 Homo sapiens IC50 = 0.3939 nM 19583252
NPT2020 Cell Line JVM-3 Homo sapiens IC50 = 5300.22 nM 24689881
NPT112 Cell Line MOLT-4 Homo sapiens IC50 = 2.516 nM 24689881
NPT1931 Cell Line BB30-HNC Homo sapiens IC50 = 0.2008 nM 24689881
NPT2414 Cell Line SCC-25 Homo sapiens IC50 = 1.222 nM 17190469
NPT2336 Cell Line OE19 Homo sapiens IC50 = 4.661 nM 14738381
NPT1820 Cell Line NCI-H1650 Homo sapiens IC50 = 9.541 nM 15974580
NPT1956 Cell Line COLO-668 Homo sapiens IC50 = 39.75 nM 20853876
NPT2423 Cell Line SCC-9 Homo sapiens IC50 = 122.4 nM 9322359
NPT4604 Cell Line DMS-53 Homo sapiens IC50 = 1061.03 nM 18063371
NPT1452 Cell Line C8166 Homo sapiens IC50 = 31.69 nM 19035792
NPT2064 Cell Line UACC-812 Homo sapiens IC50 = 1003.75 nM 19035792
NPT4611 Cell Line PLC-PRF-5 Homo sapiens IC50 = 62.91 nM 19035792
NPT116 Cell Line HL-60 Homo sapiens IC50 = 5.002 nM 23398362
NPT388 Cell Line NCI-H322M Homo sapiens GI50 0.1 nM 23398362
NPT2285 Cell Line COR-L105 Homo sapiens IC50 = 9.538 nM 23398362
NPT1919 Cell Line DOHH-2 Homo sapiens IC50 = 8.37 nM 23398362
NPT1999 Cell Line TUR Homo sapiens IC50 = 1.856 nM 18232639
NPT2466 Cell Line NCI-H358 Homo sapiens IC50 = 2.484 nM 26042639
NPT1926 Cell Line CP66-MEL Homo sapiens IC50 = 11.67 nM 19762244
NPT2459 Cell Line HCC70 Homo sapiens IC50 = 4.791 nM 23819826
NPT2200 Cell Line RPMI-6666 Homo sapiens IC50 = 1.498 nM PubChem BioAssay data set
NPT2208 Cell Line KP-N-YS Homo sapiens IC50 = 3.934 nM 20056545
NPT543 Individual Protein Pregnane X receptor Homo sapiens EC50 = 31600 nM 21090694
NPT2307 Cell Line 769-P Homo sapiens IC50 = 0.7534 nM 21090801
NPT2019 Cell Line JVM-2 Homo sapiens IC50 = 3045.95 nM 21090801
NPT2314 Cell Line BEN Homo sapiens IC50 = 20.57 nM 26230970
NPT2310 Cell Line CaR-1 Homo sapiens IC50 = 34.29 nM 17512741
NPT2053 Cell Line LU-139 Homo sapiens IC50 = 47.54 nM 26290401
NPT2002 Cell Line KY821 Homo sapiens IC50 = 796.17 nM 25337628
NPT1939 Cell Line 8-MG-BA Homo sapiens IC50 = 4.779 nM 25337628
NPT1954 Cell Line D-392MG Homo sapiens IC50 = 115.01 nM 20430633
NPT2289 Cell Line CAL-12T Homo sapiens IC50 = 0.2389 nM 17844994
NPT2362 Cell Line TYK-nu Homo sapiens IC50 = 61.36 nM 11087575
NPT2104 Cell Line NCI-H1417 Homo sapiens IC50 = 21 nM 16420055
NPT2156 Cell Line SU-DHL-1 Homo sapiens IC50 = 516.49 nM 9599250
NPT2171 Cell Line SIG-M5 Homo sapiens IC50 = 0.1687 nM 2738893
NPT1189 Cell Line DG-75 Homo sapiens IC50 = 52.79 nM 20462233
NPT395 Cell Line SF-268 Homo sapiens IC50 = 4.655 nM 21708464
NPT1629 Cell Line CWR22R Homo sapiens IC50 = 8.411 nM 20614907
NPT2052 Cell Line KALS-1 Homo sapiens IC50 = 3.194 nM 12444673
NPT2005 Cell Line MHH-NB-11 Homo sapiens IC50 = 15.15 nM 21761866
NPT1974 Cell Line IST-SL2 Homo sapiens IC50 = 7.032 nM 18278870
NPT112 Cell Line MOLT-4 Homo sapiens GI50 0.1 nM 18942825
NPT90 Cell Line DU-145 Homo sapiens IC50 = 0.7212 nM 24175638
NPT2427 Cell Line HCC1954 Homo sapiens IC50 = 9.187 nM 24094434
NPT2060 Cell Line NCI-H2171 Homo sapiens IC50 = 9.623 nM 24900683
NPT457 Cell Line BT-549 Homo sapiens GI50 0.1 nM 19185486
NPT2444 Cell Line YAPC Homo sapiens IC50 = 348.75 nM 24467317
NPT2135 Cell Line LB373-MEL-D Homo sapiens IC50 = 18.13 nM PubChem BioAssay data set
NPT4783 Cell Line SNU-398 Homo sapiens IC50 = 5 nM 27311894
NPT2 Others Unspecified IC50 = 3.8 nM 27311894
NPT2185 Cell Line OCI-AML2 Homo sapiens IC50 = 3.066 nM PubChem BioAssay data set
NPT1911 Cell Line C2BBe1 Homo sapiens IC50 = 48.29 nM PubChem BioAssay data set
NPT4608 Cell Line RT-4 Homo sapiens IC50 = 202.57 nM 24571273
NPT2306 Cell Line Ca-Ski Homo sapiens IC50 = 3.851 nM 24571273
NPT2145 Cell Line TE-15 Homo sapiens IC50 = 0.2254 nM 16458512
NPT2485 Cell Line IA-LM Homo sapiens IC50 = 0.3929 nM 19267462
NPT2383 Cell Line ESS-1 Homo sapiens IC50 = 1.516 nM 8229016
NPT4603 Cell Line C-4-II Homo sapiens IC50 = 5.367 nM 19339178
NPT2096 Cell Line VA-ES-BJ Homo sapiens IC50 = 4.345 nM 16933872
NPT2439 Cell Line MC-IXC Homo sapiens IC50 = 3.056 nM 17967917
NPT1967 Cell Line NCI-H526 Homo sapiens IC50 = 7.236 nM 20813948
NPT2323 Cell Line BHY Homo sapiens IC50 = 0.1954 nM 20350951
NPT1978 Cell Line MFM-223 Homo sapiens IC50 = 1769.39 nM 21168330
NPT2184 Cell Line NCI-H510A Homo sapiens IC50 = 11.85 nM 19307369
NPT2170 Cell Line RKO Homo sapiens IC50 = 0.06474 nM 18955514
NPT2479 Cell Line OAW-28 Homo sapiens IC50 = 7.955 nM 21852132
NPT2471 Cell Line HuP-T3 Homo sapiens IC50 = 3.811 nM 24900509
NPT2033 Cell Line JIYOYE Homo sapiens IC50 = 7.805 nM 22917857
NPT394 Cell Line EKVX Homo sapiens IC50 = 33.69 nM 23489135
NPT2 Others Unspecified Kd = 1.3 nM 23896611
NPT2309 Cell Line CAPAN-1 Homo sapiens IC50 = 4.005 nM 10.6019/CHEMBL3392926
NPT2277 Cell Line C-33-A Homo sapiens IC50 = 3.272 nM 27156774
NPT2308 Cell Line CAMA-1 Homo sapiens IC50 = 12.93 nM 24913558
NPT391 Cell Line HCC 2998 Homo sapiens IC50 = 1.051 nM 24913558
NPT2123 Cell Line MPP-89 Homo sapiens IC50 = 8.289 nM 25763602
NPT2452 Cell Line NCI-H292 IC50 = 1.419 nM 25763602
NPT2511 Cell Line HGC-27 Homo sapiens IC50 = 0.3383 nM 19053514
NPT2001 Cell Line JAR Homo sapiens IC50 = 1219.48 nM 23398362
NPT405 Cell Line NCI-H226 Homo sapiens GI50 0.1 nM 23398362
NPT2117 Cell Line HuTu80 Homo sapiens IC50 = 0.3281 nM 23398362
NPT2035 Cell Line NCCIT Homo sapiens IC50 = 1.729 nM 23186307
NPT2275 Cell Line EGI-1 Homo sapiens IC50 = 73.4 nM 24467317
NPT572 Cell Line DMS-273 Homo sapiens IC50 = 1.62 nM 15974608
NPT2384 Cell Line HPAF-II Homo sapiens IC50 = 20.98 nM 16124771
NPT148 Cell Line HCT-15 Homo sapiens IC50 = 0.7166 nM 17672504
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 1.3 nM 10780915
NPT2211 Cell Line NB12 Homo sapiens IC50 = 56.02 nM 16499325
NPT146 Cell Line SK-OV-3 Homo sapiens IC50 = 1.495 nM 11000036
NPT2029 Cell Line SW 954 Homo sapiens IC50 = 0.4357 nM 16038541
NPT2359 Cell Line SK-MEL-30 Homo sapiens IC50 = 1.343 nM 18024584
NPT2271 Cell Line DoTc2-4510 Homo sapiens IC50 = 0.8462 nM 24273638
NPT2059 Cell Line NCI-H2141 Homo sapiens IC50 = 13.74 nM 24273638
NPT2374 Cell Line KYSE-180 Homo sapiens IC50 = 0.6007 nM 3598594
NPT2025 Cell Line NCI-H747 Homo sapiens IC50 = 2.539 nM PubChem BioAssay data set
NPT2087 Cell Line L-540 Homo sapiens IC50 = 10.73 nM 22694318
NPT2433 Cell Line SNU-423 Homo sapiens IC50 = 10.3 nM 20634081
NPT1086 Cell Line SK-HEP1 Homo sapiens IC50 = 1.112 nM 20634081
NPT2399 Cell Line NCI-H2170 Homo sapiens IC50 = 5.217 nM 23210623
NPT2155 Cell Line SHP77 Homo sapiens IC50 = 4.924 nM 25237727
NPT1992 Cell Line KURAMOCHI Homo sapiens IC50 = 6.054 nM 9461661
NPT2352 Cell Line MHH-ES-1 Homo sapiens IC50 = 0.893 nM 18166016
NPT2301 Cell Line CAL-62 Homo sapiens IC50 = 0.8749 nM 15620238
NPT2319 Cell Line A204 Homo sapiens IC50 = 3.12 nM 10843570
NPT1961 Cell Line D-542MG Homo sapiens IC50 = 1883.62 nM 22206869
NPT1904 Cell Line ES3 Homo sapiens IC50 = 15.02 nM 25978960
NPT2091 Cell Line SNU-5 Homo sapiens IC50 = 30.44 nM 19660948
NPT2172 Cell Line SIMA Homo sapiens IC50 = 19.08 nM 21970540
NPT2278 Cell Line COLO-741 Homo sapiens IC50 = 2.72 nM 11421735
NPT2111 Cell Line SF-126 Homo sapiens IC50 = 3.466 nM 10425143
NPT2403 Cell Line SBC-5 Homo sapiens IC50 = 0.9115 nM 9917283
NPT385 Cell Line SR Homo sapiens IC50 = 3.652 nM 26358281
NPT1505 Cell Line J82 Homo sapiens IC50 = 1.41 nM 21643465
NPT1912 Cell Line COLO-800 Homo sapiens IC50 = 32.53 nM 12617894
NPT2063 Cell Line SK-PN-DW Homo sapiens IC50 = 1.065 nM 20496923
NPT2166 Cell Line LB831-BLC Homo sapiens IC50 = 6.034 nM PubChem BioAssay data set
NPT2075 Cell Line NCI-H2196 Homo sapiens IC50 = 84.45 nM 23772309
NPT399 Cell Line SF-295 Homo sapiens IC50 = 1.918 nM 12662097
NPT1045 Cell Line U2OS Homo sapiens IC50 = 2004.75 nM 14695804
NPT2165 Cell Line KNS-42 Homo sapiens IC50 = 3.915 nM 24697496
NPT375 Cell Line Malme-3M Homo sapiens GI50 10 nM 25237727
NPT2367 Cell Line KYSE-140 Homo sapiens IC50 = 1.226 nM 15387655
NPT4783 Cell Line SNU-398 Homo sapiens Activity = 13.7 % 19969457
NPT4783 Cell Line SNU-398 Homo sapiens Activity = 70.1 % 19969457
NPT4783 Cell Line SNU-398 Homo sapiens Activity = 11.8 % 19969457
NPT2142 Cell Line REH Homo sapiens IC50 = 1.76 nM 1294693
NPT2179 Cell Line LC-1F Homo sapiens IC50 = 34.9 nM 23806109
NPT2210 Cell Line NB10 Homo sapiens IC50 = 11.04 nM 20035556
NPT384 Cell Line TK-10 Homo sapiens GI50 0.1 nM 3543366
NPT1949 Cell Line BL-41 Homo sapiens IC50 = 1.353 nM 17194827
NPT2514 Cell Line LN-405 Homo sapiens IC50 = 136.23 nM 17194827
NPT2 Others Unspecified IC50 = 0.17 nM 17261621
NPT2068 Cell Line L-363 Homo sapiens IC50 = 5.879 nM 17261619
NPT2406 Cell Line HCC1395 Homo sapiens IC50 = 182.18 nM 17353252
NPT2186 Cell Line RL Homo sapiens IC50 = 1660.4 nM 17682106
NPT2380 Cell Line SK-N-AS Homo sapiens IC50 = 1055.68 nM 19884381
NPT2477 Cell Line NUGC-3 Homo sapiens IC50 = 1.161 nM 18710917
NPT2050 Cell Line K052 Homo sapiens IC50 = 5.843 nM 18519723
NPT1649 Cell Line MV4-11 Homo sapiens IC50 = 1.696 nM 18936192
NPT1971 Cell Line GI-1 Homo sapiens IC50 = 2.431 nM 20566763
NPT1983 Cell Line NCI-H64 Homo sapiens IC50 = 8.249 nM 20921306
NPT2417 Cell Line UMUC3 Homo sapiens IC50 = 1.853 nM 20921306
NPT2098 Cell Line EW-18 Homo sapiens IC50 = 2.629 nM DrugMatrix in vitro pharmacology data
NPT639 Cell Line NCI-H187 Homo sapiens IC50 = 4370.6 nM DrugMatrix in vitro pharmacology data
NPT2133 Cell Line KM-H2 Homo sapiens IC50 = 9.061 nM DrugMatrix in vitro pharmacology data
NPT6 Organism Plasmodium falciparum Plasmodium falciparum EC50 > 1250 nM DrugMatrix in vitro pharmacology data
NPT2296 Cell Line AU565 Homo sapiens IC50 = 4.095 nM DrugMatrix in vivo data: Pathology
NPT2040 Cell Line P30-OHK Homo sapiens IC50 = 4.49 nM DrugMatrix in vivo data: Biochemistry
NPT1396 Cell Line NCI-H69 Homo sapiens IC50 = 14.84 nM DrugMatrix in vivo data: Hematology
NPT1940 Cell Line BE-13 Homo sapiens IC50 = 7.296 nM DrugMatrix in vivo data: Biochemistry
NPT1947 Cell Line D283 Med IC50 = 186.47 nM DrugMatrix in vivo data: Hematology
NPT2198 Cell Line NCI-H524 Homo sapiens IC50 = 23.13 nM 22980217
NPT2125 Cell Line NCI-H1522 Homo sapiens IC50 = 153.99 nM 18247569
NPT1083 Cell Line A-375 Homo sapiens IC50 = 0.04997 nM 19228038
NPT2434 Cell Line TCC-SUP Homo sapiens IC50 = 4.497 nM 22801644
NPT2446 Cell Line HCC38 Homo sapiens IC50 = 3.833 nM 11714611
NPT2140 Cell Line NOMO-1 Homo sapiens IC50 = 8.553 nM 10579870
NPT2197 Cell Line NCI-H1770 Homo sapiens IC50 = 0.9066 nM 9461654
NPT1082 Cell Line NCI-H2126 Homo sapiens IC50 = 15.62 nM 25637363
NPT405 Cell Line NCI-H226 Homo sapiens IC50 = 42.05 nM 20570529
NPT2276 Cell Line A673 Homo sapiens IC50 = 2.48 nM 2832544
NPT2339 Cell Line TGBC24TKB Homo sapiens IC50 = 2.752 nM 23738539
NPT2173 Cell Line TE-6 Homo sapiens IC50 = 22.99 nM 13678412
NPT2072 Cell Line MN-60 Homo sapiens IC50 = 290.38 nM DrugMatrix in vitro pharmacology data
NPT2021 Cell Line LS-411N Homo sapiens IC50 = 23.62 nM DrugMatrix in vivo data: Biochemistry
NPT1916 Cell Line ACN Homo sapiens IC50 = 1.068 nM 15646539
NPT139 Cell Line HT-29 Homo sapiens IC50 = 0.4993 nM 23848163
NPT370 Cell Line NCI-H23 Homo sapiens GI50 0.1 nM 23046382
NPT2416 Cell Line UACC-893 Homo sapiens IC50 = 45.5 nM 22445674
NPT1215 Cell Line 8505C Homo sapiens IC50 = 0.4507 nM 23772699
NPT2181 Cell Line MEG-01 Homo sapiens IC50 = 1.525 nM 18442289
NPT2061 Cell Line NCI-H889 Homo sapiens IC50 = 36.02 nM 7807120
NPT2205 Cell Line IST-MEL1 Homo sapiens IC50 = 4.064 nM 18070971
NPT2 Others Unspecified IC50 = 6.7 nM DrugMatrix in vitro pharmacology data
NPT659 Cell Line SMMC-7721 Homo sapiens IC50 = 2.3 nM DrugMatrix in vitro pharmacology data
NPT372 Cell Line HOP-92 Homo sapiens IC50 = 91.49 nM PubChem BioAssay data set
NPT1962 Cell Line DB Homo sapiens IC50 = 7.109 nM PubChem BioAssay data set
NPT2031 Cell Line ES8 Homo sapiens IC50 = 1.649 nM DrugMatrix in vivo data: Pathology
NPT2422 Cell Line SCC-4 Homo sapiens IC50 = 0.8766 nM PubChem BioAssay data set
NPT2394 Cell Line HSC-4 Homo sapiens IC50 = 29.92 nM 18440233
NPT4606 Cell Line BOKU Homo sapiens IC50 = 251.89 nM 19344127
NPT2143 Cell Line ST486 Homo sapiens IC50 = 0.7212 nM 15332840
NPT2069 Cell Line Lu-65 Homo sapiens IC50 = 21.01 nM 23305465
NPT445 Individual Protein Peripheral myelin protein 22 Rattus norvegicus Potency 57.3 nM 23387824
NPT2322 Cell Line CHL-1 Homo sapiens IC50 = 0.979 nM 25581396
NPT2431 Cell Line NCI-H1437 Homo sapiens IC50 = 0.6893 nM 23145909
NPT1924 Cell Line AM-38 Homo sapiens IC50 = 7.564 nM 16441083
NPT390 Cell Line LOX IMVI Homo sapiens IC50 = 383.55 nM 15568791
NPT2148 Cell Line LB771-HNC Homo sapiens IC50 = 8.458 nM 15568791
NPT1985 Cell Line OPM-2 Homo sapiens IC50 = 64.46 nM 18177012
NPT2141 Cell Line NOS-1 Homo sapiens IC50 = 2.716 nM 16643028
NPT407 Cell Line COLO 205 Homo sapiens IC50 = 0.8015 nM 16643028
NPT83 Cell Line MCF7 Homo sapiens ED50 = 0.0015 nM 10.1016/S0960-894X(97)00029-2
NPT2333 Cell Line DBTRG-05MG Homo sapiens IC50 = 5.855 nM 18973388
NPT2049 Cell Line HT Homo sapiens IC50 = 20.47 nM 18991460
NPT1952 Cell Line COLO-320-HSR Homo sapiens IC50 = 5.207 nM 12747798
NPT396 Cell Line T47D Homo sapiens IC50 = 278.17 nM 16472241
NPT458 Cell Line IGROV-1 Homo sapiens IC50 = 0.156 nM 21051535
NPT2146 Cell Line YT Homo sapiens IC50 = 18.74 nM 26854430
NPT2291 Cell Line CP50-MEL-B Homo sapiens IC50 = 19.03 nM DrugMatrix in vitro pharmacology data
NPT2366 Cell Line JEG-3 Homo sapiens IC50 = 5.014 nM DrugMatrix in vitro pharmacology data
NPT890 Cell Line SNU-387 Homo sapiens IC50 = 5.656 nM 22871217
NPT2030 Cell Line U-698-M Homo sapiens IC50 = 7.758 nM 17685651
NPT455 Cell Line NCI-H522 Homo sapiens IC50 = 0.6353 nM 12398531
NPT1941 Cell Line A101D Homo sapiens IC50 = 0.856 nM 15711537
NPT1966 Cell Line NCI-H1838 Homo sapiens IC50 = 1210.4 nM 15711537
NPT2371 Cell Line SW837 Homo sapiens IC50 = 2.47 nM 18077425
NPT2074 Cell Line NCI-H1355 Homo sapiens IC50 = 0.9152 nM 18077425
NPT2191 Cell Line GCIY Homo sapiens IC50 = 6.592 nM 18077425
NPT1097 Cell Line MKN-45 Homo sapiens IC50 = 4.379 nM 18077425
NPT2340 Cell Line KU-19-19 Homo sapiens IC50 = 1598.52 nM 18183025
NPT1996 Cell Line NB5 Homo sapiens IC50 = 10.65 nM 20350806
NPT381 Cell Line OVCAR-8 Homo sapiens IC50 = 1.063 nM 20570526
NPT2386 Cell Line KYSE-270 Homo sapiens IC50 = 0.4449 nM 19654408
NPT1993 Cell Line LP-1 Homo sapiens IC50 = 200.47 nM 19654408
NPT306 Cell Line PC-3 Homo sapiens IC50 = 23.37 nM 19654408
NPT2137 Cell Line MS-1 Homo sapiens IC50 = 10.25 nM 19654408
NPT2390 Cell Line NCI-H2122 Homo sapiens IC50 = 0.4101 nM 19654408
NPT4607 Cell Line TT Homo sapiens IC50 = 2580.7 nM 19654408
NPT1460 Cell Line L929 Mus musculus IC50 = 0.001 ug/ml 19654408
NPT2046 Cell Line EVSA-T Homo sapiens IC50 = 30.73 nM 22037378
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 35481.3 nM 10.6019/CHEMBL1201861
NPT2313 Cell Line BCPAP Homo sapiens IC50 = 0.5813 nM 10.6019/CHEMBL1201861
NPT1946 Cell Line D-263MG Homo sapiens IC50 = 35.8 nM 10.6019/CHEMBL1201861
NPT2129 Cell Line SNU-C1 Homo sapiens IC50 = 63.22 nM PubChem BioAssay data set
NPT4615 Cell Line NCI-H1618 Homo sapiens IC50 = 7.621 nM 10.6019/CHEMBL3301361
NPT2293 Cell Line CAL-39 Homo sapiens IC50 = 0.4113 nM 19115836
NPT1987 Cell Line RPMI-8866 Homo sapiens IC50 = 19.84 nM 26034885
NPT2404 Cell Line SW982 Homo sapiens IC50 = 0.9994 nM 20553004
NPT2131 Cell Line WSU-NHL Homo sapiens IC50 = 4.146 nM 7853012
NPT2168 Cell Line MZ2-MEL Homo sapiens IC50 = 2.149 nM 17346076
NPT2008 Cell Line NB69 Homo sapiens IC50 = 8.07 nM 14640511
NPT2195 Cell Line LC4-1 Homo sapiens IC50 = 12.75 nM 25611215
NPT2505 Cell Line NCI-H520 IC50 = 2.949 nM 22264149
NPT2456 Cell Line TE-11 Homo sapiens IC50 = 1.204 nM 21936523
NPT2413 Cell Line PC-14 Homo sapiens IC50 = 4.214 nM 25906329
NPT306 Cell Line PC-3 Homo sapiens GI50 0.1 nM 22044245
NPT1959 Cell Line A4-Fuk Homo sapiens IC50 = 1.09 nM 23013356
NPT2144 Cell Line TE-12 Homo sapiens IC50 = 5.474 nM 23013356
NPT2454 Cell Line RD Homo sapiens IC50 = 4.422 nM 2016706
NPT2497 Cell Line HEC-1 Homo sapiens IC50 = 9.093 nM 3361583
NPT1984 Cell Line ONS-76 Homo sapiens IC50 = 4.099 nM DrugMatrix in vitro pharmacology data
NPT937 Cell Line NCI-H446 Homo sapiens IC50 = 21.38 nM DrugMatrix in vitro pharmacology data
NPT2150 Cell Line NCI-H1648 Homo sapiens IC50 = 0.9819 nM PubChem BioAssay data set
NPT2349 Cell Line HMV-2 cell line IC50 = 0.3944 nM 10.1007/s00044-010-9368-4
NPT83 Cell Line MCF7 Homo sapiens IC50 = 0.08657 nM 7623050
NPT2136 Cell Line MDA-MB-134-VI Homo sapiens IC50 = 116.4 nM 17850214
NPT376 Cell Line A498 Homo sapiens GI50 0.1 nM 8410974
NPT398 Cell Line UACC-62 Homo sapiens IC50 = 128.57 nM 3005575
NPT1960 Cell Line BV-173 Homo sapiens IC50 = 190.2 nM 17418454
NPT2273 Cell Line EFO-21 Homo sapiens IC50 = 9.824 nM 18426901
NPT1902 Cell Line ES1 Homo sapiens IC50 = 0.2215 nM 18426901
NPT2284 Cell Line C3A Homo sapiens IC50 = 3.415 nM 18426901
NPT384 Cell Line TK-10 Homo sapiens IC50 = 2.047 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 0.1 nM 19687244
NPT1913 Cell Line DJM-1 Homo sapiens IC50 = 3.133 nM DrugMatrix in vitro pharmacology data
NPT392 Cell Line SNB-75 Homo sapiens IC50 = 3.009 nM DrugMatrix in vitro pharmacology data
NPT2501 Cell Line MEL-HO Homo sapiens IC50 = 1.688 nM 22418278
NPT2400 Cell Line PA-1 Homo sapiens IC50 = 0.1737 nM 10.1007/s00044-010-9338-x
NPT1937 Cell Line CAS-1 Homo sapiens IC50 = 24.47 nM 10.1007/s00044-010-9338-x
NPT2016 Cell Line ES6 Homo sapiens IC50 = 11.24 nM 10.1007/s00044-011-9655-8
NPT2127 Cell Line NMC-G1 Homo sapiens IC50 = 1.755 nM 10.1007/s00044-012-0184-x
NPT2449 Cell Line NCI-H1573 Homo sapiens IC50 = 6.416 nM DrugMatrix in vivo data: Pathology
NPT1930 Cell Line CTB-1 Homo sapiens IC50 = 8.305 nM DrugMatrix in vivo data: Hematology
NPT2188 Cell Line SJSA-1 Homo sapiens IC50 = 2.086 nM 20022253
NPT2430 Cell Line M059J Homo sapiens IC50 = 1.337 nM 22705001
NPT1977 Cell Line LOUCY Homo sapiens IC50 = 4.346 nM 11421741
NPT2126 Cell Line NKM-1 Homo sapiens IC50 = 2.103 nM PubChem BioAssay data set
NPT929 Cell Line BC1 cell line IC50 = 1.993 nM 10.1584/jpestics.16.93
NPT2083 Cell Line KARPAS-422 Homo sapiens IC50 = 10.63 nM PubChem BioAssay data set
NPT788 Cell Line SNU1 Homo sapiens IC50 = 62.74 nM 17665951
NPT926 Cell Line SK-MEL-1 Homo sapiens IC50 = 3670.91 nM 23550966
NPT2299 Cell Line CAL-51 Homo sapiens IC50 = 1.659 nM 12166949
NPT1535 Cell Line U-87 MG Homo sapiens IC50 = 21.8 nM 17194832
NPT2513 Cell Line LK-2 Homo sapiens IC50 = 4.855 nM 18955520
NPT380 Cell Line U-251 Homo sapiens GI50 0.1 nM 18955520
NPT406 Cell Line RXF 393 Homo sapiens GI50 0.1 nM 19721074
NPT2012 Cell Line NCI-H720 Homo sapiens IC50 = 2316.81 nM 19721074
NPT4617 Cell Line IPC-298 Homo sapiens IC50 = 22.09 nM 22194678
NPT2331 Cell Line A-427 Homo sapiens IC50 = 0.8277 nM 25019388
NPT1943 Cell Line CGTH-W-1 Homo sapiens IC50 = 2.803 nM 15387639
NPT2492 Cell Line OAW-42 Homo sapiens IC50 = 2.179 nM 17417907
NPT2432 Cell Line NCI-H2342 Homo sapiens IC50 = 0.5766 nM 17665952
NPT2101 Cell Line LAN-6 Homo sapiens IC50 = 346.08 nM PubChem BioAssay data set
NPT2043 Cell Line SK-NEP-1 Homo sapiens IC50 = 10.04 nM 26690274
NPT2357 Cell Line RT-112 Homo sapiens IC50 = 0.6143 nM PubChem BioAssay data set
NPT2405 Cell Line SAOS-2 Homo sapiens IC50 = 1462.76 nM PubChem BioAssay data set
NPT2196 Cell Line NB1 Homo sapiens IC50 = 14.59 nM 21958738
NPT2026 Cell Line Ramos-2G6-4C10 Homo sapiens IC50 = 9.621 nM 15165138
NPT2418 Cell Line HCC1569 Homo sapiens IC50 = 12.8 nM 15165138
NPT2337 Cell Line OE33 Homo sapiens IC50 = 7.633 nM 16441060
NPT1936 Cell Line BC-3 Homo sapiens IC50 = 8.389 nM PubChem BioAssay data set
NPT2345 Cell Line SW626 Homo sapiens IC50 = 1.985 nM 1791472
NPT2343 Cell Line NCI-H650 Homo sapiens IC50 = 0.1703 nM 9548847
NPT2503 Cell Line NCI-H1703 Homo sapiens IC50 = 7.758 nM 19995673
NPT2099 Cell Line KE-37 Homo sapiens IC50 = 1.914 nM 18302334
NPT2393 Cell Line SAS Homo sapiens IC50 = 344.06 nM 26287401

  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 NPC21126 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.9931 High Similarity NPC212214
0.9796 High Similarity NPC312887
0.9795 High Similarity NPC474538
0.9795 High Similarity NPC52587
0.9793 High Similarity NPC202591
0.9792 High Similarity NPC206724
0.9792 High Similarity NPC474515
0.9728 High Similarity NPC231110
0.9586 High Similarity NPC185665
0.9586 High Similarity NPC474094
0.9586 High Similarity NPC475737
0.9521 High Similarity NPC109498
0.9521 High Similarity NPC154873
0.9521 High Similarity NPC61667
0.9521 High Similarity NPC252616
0.9521 High Similarity NPC474090
0.9521 High Similarity NPC32583
0.9521 High Similarity NPC45576
0.9521 High Similarity NPC163147
0.9456 High Similarity NPC268063
0.9456 High Similarity NPC224609
0.9452 High Similarity NPC474067
0.9448 High Similarity NPC474103
0.9448 High Similarity NPC82436
0.9448 High Similarity NPC474068
0.9448 High Similarity NPC474064
0.9384 High Similarity NPC21449
0.9384 High Similarity NPC474079
0.9384 High Similarity NPC475683
0.9384 High Similarity NPC474102
0.9384 High Similarity NPC157194
0.9384 High Similarity NPC474080
0.9267 High Similarity NPC127775
0.911 High Similarity NPC474069
0.8367 Intermediate Similarity NPC474070
0.7891 Intermediate Similarity NPC475604
0.7687 Intermediate Similarity NPC475568
0.7305 Intermediate Similarity NPC315252
0.7251 Intermediate Similarity NPC54983
0.7193 Intermediate Similarity NPC12660
0.716 Intermediate Similarity NPC190329
0.7037 Intermediate Similarity NPC469801
0.6959 Remote Similarity NPC186452
0.6919 Remote Similarity NPC211555
0.6909 Remote Similarity NPC319751
0.6786 Remote Similarity NPC119481
0.6726 Remote Similarity NPC473398
0.6629 Remote Similarity NPC97078
0.6629 Remote Similarity NPC470146
0.6629 Remote Similarity NPC101980
0.6441 Remote Similarity NPC522
0.6441 Remote Similarity NPC56058
0.6348 Remote Similarity NPC210424
0.6333 Remote Similarity NPC475554
0.6319 Remote Similarity NPC164006
0.6292 Remote Similarity NPC216720
0.6269 Remote Similarity NPC165538
0.625 Remote Similarity NPC122427
0.6237 Remote Similarity NPC132662
0.6216 Remote Similarity NPC473704
0.6186 Remote Similarity NPC469858
0.6166 Remote Similarity NPC329961
0.6162 Remote Similarity NPC134480
0.6011 Remote Similarity NPC14101
0.6 Remote Similarity NPC24990
0.5971 Remote Similarity NPC14877
0.5971 Remote Similarity NPC145178
0.5971 Remote Similarity NPC475350
0.5895 Remote Similarity NPC161242
0.5886 Remote Similarity NPC475390
0.5885 Remote Similarity NPC251036
0.5812 Remote Similarity NPC475534
0.5812 Remote Similarity NPC476080
0.5806 Remote Similarity NPC473886
0.58 Remote Similarity NPC106235
0.58 Remote Similarity NPC239660
0.5798 Remote Similarity NPC476103
0.5751 Remote Similarity NPC25316
0.5751 Remote Similarity NPC263485
0.5751 Remote Similarity NPC229160
0.5721 Remote Similarity NPC475196
0.5699 Remote Similarity NPC475330
0.5692 Remote Similarity NPC161143
0.567 Remote Similarity NPC174652

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC21126 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 NPD6910 Phase 3
0.9726 High Similarity NPD6911 Discontinued
0.9586 High Similarity NPD6907 Phase 2
0.9474 High Similarity NPD6916 Clinical (unspecified phase)
0.8758 High Similarity NPD6915 Approved
0.7358 Intermediate Similarity NPD7496 Phase 2
0.6343 Remote Similarity NPD5189 Clinical (unspecified phase)
0.629 Remote Similarity NPD2957 Phase 2
0.6271 Remote Similarity NPD5634 Approved
0.6048 Remote Similarity NPD1083 Clinical (unspecified phase)
0.6 Remote Similarity NPD6348 Clinical (unspecified phase)
0.5949 Remote Similarity NPD6349 Phase 1
0.5851 Remote Similarity NPD6870 Phase 1
0.58 Remote Similarity NPD8339 Clinical (unspecified phase)
0.5612 Remote Similarity NPD7977 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   448013
ChEMBL   CHEMBL94657
ZINC  

Physicochemical Properties

Molecular Weight:  507.27
ALogP:  1.3919
MLogP:  3.55
XLogP:  2.924
# Rotatable Bonds:  11
Polar Surface Area:  137.49
# H-Bond Aceptor:  7
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  35

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Biological Activities  
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