Natural Product: NPC302915

Natural Product ID:  NPC302915
Common Name:   Schweinfurthin B
IUPAC Name:   (2S,3R,4aR,9aR)-7-[(E)-2-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxyphenyl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3-diol
Synonyms:  
Molecular Formula:   C35H46O6
Standard InCHIKey:  UPTXDGJFJGCFDE-NASSATPLSA-N
Standard InCHI:  InChI=1S/C35H46O6/c1-21(2)9-8-10-22(3)11-14-26-27(36)16-24(17-28(26)37)13-12-23-15-25-19-31-34(4,5)33(39)29(38)20-35(31,6)41-32(25)30(18-23)40-7/h9,11-13,15-18,29,31,33,36-39H,8,10,14,19-20H2,1-7H3/b13-12+,22-11+/t29-,31-,33-,35-/m1/s1
Canonical SMILES:  COc1cc(/C=C/c2cc(O)c(c(c2)O)C/C=C(/CCC=C(C)C)C)cc2c1O[C@]1(C)C[C@@H](O)[C@H](C([C@H]1C2)(C)C)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO327 Vertebrata lanosa Species Rhodomelaceae Eukaryota UNPD*
NPO10673 Macaranga schweinfurthii Species Euphorbiaceae Eukaryota UNPD*
NPO12494 Bohadschia argus Species Holothuriidae Eukaryota UNPD*
NPO8300 Apis mellifera ligustica Species Apidae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified GI50 = 810 nM 17236766
NPT81 Cell Line A549 Homo sapiens IC50 > 100 ug/ml 9868152
NPT81 Cell Line A549 Homo sapiens IC50 = 80 ug/ml 9868152
NPT81 Cell Line A549 Homo sapiens IC50 = 7.1 ug/ml 9868152
NPT399 Cell Line SF-295 Homo sapiens IC50 > 100 ug/ml 9868152
NPT399 Cell Line SF-295 Homo sapiens IC50 = 2.9 ug/ml 9868152
NPT399 Cell Line SF-295 Homo sapiens IC50 = 0.009 ug/ml 9868152
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 = 229.09 nM 9868152
NPT404 Cell Line CCRF-CEM Homo sapiens TGI = 6309.57 nM 9868152
NPT404 Cell Line CCRF-CEM Homo sapiens LC50 = 100000 nM 9868152
NPT116 Cell Line HL-60 Homo sapiens GI50 = 37.15 nM 9868152
NPT116 Cell Line HL-60 Homo sapiens TGI = 1288.25 nM 9868152
NPT116 Cell Line HL-60 Homo sapiens LC50 = 100000 nM 9868152
NPT111 Cell Line K562 Homo sapiens GI50 = 346.74 nM 9868152
NPT111 Cell Line K562 Homo sapiens TGI = 6165.95 nM 9868152
NPT111 Cell Line K562 Homo sapiens LC50 = 36307.81 nM 9868152
NPT112 Cell Line MOLT-4 Homo sapiens GI50 = 47.86 nM 9868152
NPT112 Cell Line MOLT-4 Homo sapiens TGI = 5248.07 nM 9868152
NPT112 Cell Line MOLT-4 Homo sapiens LC50 = 10964.78 nM 9868152
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 = 15.14 nM 9868152
NPT389 Cell Line RPMI-8226 Homo sapiens TGI = 109.65 nM 9868152
NPT389 Cell Line RPMI-8226 Homo sapiens LC50 = 12022.64 nM 9868152
NPT385 Cell Line SR Homo sapiens GI50 = 257.04 nM 9868152
NPT385 Cell Line SR Homo sapiens TGI = 12022.64 nM 9868152
NPT385 Cell Line SR Homo sapiens LC50 = 58884.37 nM 9868152
NPT81 Cell Line A549 Homo sapiens GI50 = 338.84 nM 9868152
NPT81 Cell Line A549 Homo sapiens TGI = 14125.38 nM 9868152
NPT81 Cell Line A549 Homo sapiens LC50 = 38904.51 nM 9868152
NPT394 Cell Line EKVX Homo sapiens GI50 = 933.25 nM 9868152
NPT394 Cell Line EKVX Homo sapiens TGI = 14125.38 nM 9868152
NPT394 Cell Line EKVX Homo sapiens LC50 = 38018.94 nM 9868152
NPT379 Cell Line HOP-62 Homo sapiens GI50 = 851.14 nM 9868152
NPT379 Cell Line HOP-62 Homo sapiens TGI = 14125.38 nM 9868152
NPT379 Cell Line HOP-62 Homo sapiens LC50 = 40738.03 nM 9868152
NPT372 Cell Line HOP-92 Homo sapiens GI50 = 933.25 nM 9868152
NPT372 Cell Line HOP-92 Homo sapiens TGI = 12882.5 nM 9868152
NPT372 Cell Line HOP-92 Homo sapiens LC50 = 41686.94 nM 9868152
NPT405 Cell Line NCI-H226 Homo sapiens GI50 = 2187.76 nM 9868152
NPT405 Cell Line NCI-H226 Homo sapiens TGI = 14125.38 nM 9868152
NPT405 Cell Line NCI-H226 Homo sapiens LC50 = 77624.71 nM 9868152
NPT370 Cell Line NCI-H23 Homo sapiens GI50 = 3235.94 nM 9868152
NPT370 Cell Line NCI-H23 Homo sapiens TGI = 19054.61 nM 9868152
NPT370 Cell Line NCI-H23 Homo sapiens LC50 = 51286.14 nM 9868152
NPT388 Cell Line NCI-H322M Homo sapiens GI50 = 3388.44 nM 9868152
NPT388 Cell Line NCI-H322M Homo sapiens TGI = 16982.44 nM 9868152
NPT388 Cell Line NCI-H322M Homo sapiens LC50 = 42657.95 nM 9868152
NPT397 Cell Line NCI-H460 Homo sapiens GI50 = 269.15 nM 9868152
NPT397 Cell Line NCI-H460 Homo sapiens TGI = 12882.5 nM 9868152
NPT397 Cell Line NCI-H460 Homo sapiens LC50 = 57543.99 nM 9868152
NPT455 Cell Line NCI-H522 Homo sapiens GI50 = 3019.95 nM 9868152
NPT455 Cell Line NCI-H522 Homo sapiens TGI = 16982.44 nM 9868152
NPT455 Cell Line NCI-H522 Homo sapiens LC50 = 39810.72 nM 9868152
NPT407 Cell Line COLO 205 Homo sapiens GI50 = 616.6 nM 9868152
NPT407 Cell Line COLO 205 Homo sapiens TGI = 2398.83 nM 9868152
NPT407 Cell Line COLO 205 Homo sapiens LC50 = 6760.83 nM 9868152
NPT391 Cell Line HCC 2998 Homo sapiens GI50 = 3630.78 nM 9868152
NPT391 Cell Line HCC 2998 Homo sapiens TGI = 10964.78 nM 9868152
NPT391 Cell Line HCC 2998 Homo sapiens LC50 = 34673.69 nM 9868152
NPT393 Cell Line HCT-116 Homo sapiens GI50 = 575.44 nM 9868152
NPT393 Cell Line HCT-116 Homo sapiens TGI = 6606.93 nM 9868152
NPT393 Cell Line HCT-116 Homo sapiens LC50 = 22908.68 nM 9868152
NPT148 Cell Line HCT-15 Homo sapiens GI50 = 1905.46 nM 9868152
NPT148 Cell Line HCT-15 Homo sapiens TGI = 6918.31 nM 9868152
NPT148 Cell Line HCT-15 Homo sapiens LC50 = 33884.42 nM 9868152
NPT139 Cell Line HT-29 Homo sapiens GI50 = 371.54 nM 9868152
NPT139 Cell Line HT-29 Homo sapiens TGI = 2089.3 nM 9868152
NPT139 Cell Line HT-29 Homo sapiens LC50 = 5495.41 nM 9868152
NPT386 Cell Line KM12 Homo sapiens GI50 = 1288.25 nM 9868152
NPT386 Cell Line KM12 Homo sapiens TGI = 9332.54 nM 9868152
NPT386 Cell Line KM12 Homo sapiens LC50 = 18197.01 nM 9868152
NPT323 Cell Line SW-620 Homo sapiens GI50 = 676.08 nM 9868152
NPT323 Cell Line SW-620 Homo sapiens TGI = 3090.3 nM 9868152
NPT323 Cell Line SW-620 Homo sapiens LC50 = 16982.44 nM 9868152
NPT395 Cell Line SF-268 Homo sapiens GI50 = 4365.16 nM 9868152
NPT395 Cell Line SF-268 Homo sapiens TGI = 23988.33 nM 9868152
NPT395 Cell Line SF-268 Homo sapiens LC50 = 75857.76 nM 9868152
NPT399 Cell Line SF-295 Homo sapiens GI50 = 23.99 nM 9868152
NPT399 Cell Line SF-295 Homo sapiens TGI = 288.4 nM 9868152
NPT399 Cell Line SF-295 Homo sapiens LC50 = 3890.45 nM 9868152
NPT374 Cell Line SF-539 Homo sapiens GI50 = 151.36 nM 9868152
NPT374 Cell Line SF-539 Homo sapiens TGI = 1995.26 nM 9868152
NPT374 Cell Line SF-539 Homo sapiens LC50 = 14125.38 nM 9868152
NPT383 Cell Line SNB-19 Homo sapiens GI50 = 398.11 nM 9868152
NPT383 Cell Line SNB-19 Homo sapiens TGI = 15848.93 nM 9868152
NPT383 Cell Line SNB-19 Homo sapiens LC50 = 40738.03 nM 9868152
NPT392 Cell Line SNB-75 Homo sapiens GI50 = 25.12 nM 9868152
NPT392 Cell Line SNB-75 Homo sapiens TGI = 1819.7 nM 9868152
NPT392 Cell Line SNB-75 Homo sapiens LC50 = 60255.96 nM 9868152
NPT380 Cell Line U-251 Homo sapiens GI50 = 199.53 nM 9868152
NPT380 Cell Line U-251 Homo sapiens TGI = 23988.33 nM 9868152
NPT380 Cell Line U-251 Homo sapiens LC50 = 48977.88 nM 9868152
NPT390 Cell Line LOX IMVI Homo sapiens GI50 = 380.19 nM 9868152
NPT390 Cell Line LOX IMVI Homo sapiens TGI = 16982.44 nM 9868152
NPT390 Cell Line LOX IMVI Homo sapiens LC50 = 30902.95 nM 9868152
NPT375 Cell Line Malme-3M Homo sapiens GI50 = 8709.64 nM 9868152
NPT375 Cell Line Malme-3M Homo sapiens TGI = 26915.35 nM 9868152
NPT375 Cell Line Malme-3M Homo sapiens LC50 = 69183.1 nM 9868152
NPT387 Cell Line M14 Homo sapiens GI50 = 141.25 nM 9868152
NPT387 Cell Line M14 Homo sapiens TGI = 1202.26 nM 9868152
NPT387 Cell Line M14 Homo sapiens LC50 = 4168.69 nM 9868152
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 = 1819.7 nM 9868152
NPT147 Cell Line SK-MEL-2 Homo sapiens TGI = 16982.44 nM 9868152
NPT147 Cell Line SK-MEL-2 Homo sapiens LC50 = 46773.51 nM 9868152
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 = 1096.48 nM 9868152
NPT170 Cell Line SK-MEL-28 Homo sapiens TGI = 12882.5 nM 9868152
NPT170 Cell Line SK-MEL-28 Homo sapiens LC50 = 52480.75 nM 9868152
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 = 208.93 nM 9868152
NPT373 Cell Line SK-MEL-5 Homo sapiens TGI = 8912.51 nM 9868152
NPT373 Cell Line SK-MEL-5 Homo sapiens LC50 = 28840.32 nM 9868152
NPT403 Cell Line UACC-257 Homo sapiens GI50 = 5754.4 nM 9868152
NPT403 Cell Line UACC-257 Homo sapiens TGI = 20892.96 nM 9868152
NPT403 Cell Line UACC-257 Homo sapiens LC50 = 46773.51 nM 9868152
NPT398 Cell Line UACC-62 Homo sapiens GI50 = 331.13 nM 9868152
NPT398 Cell Line UACC-62 Homo sapiens TGI = 2290.87 nM 9868152
NPT398 Cell Line UACC-62 Homo sapiens LC50 = 10000 nM 9868152
NPT458 Cell Line IGROV-1 Homo sapiens GI50 = 2398.83 nM 9868152
NPT458 Cell Line IGROV-1 Homo sapiens TGI = 18197.01 nM 9868152
NPT458 Cell Line IGROV-1 Homo sapiens LC50 = 42657.95 nM 9868152
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 = 3890.45 nM 9868152
NPT377 Cell Line OVCAR-3 Homo sapiens TGI = 12882.5 nM 9868152
NPT377 Cell Line OVCAR-3 Homo sapiens LC50 = 42657.95 nM 9868152
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 = 12022.64 nM 9868152
NPT456 Cell Line OVCAR-4 Homo sapiens TGI = 50118.72 nM 9868152
NPT456 Cell Line OVCAR-4 Homo sapiens LC50 = 77624.71 nM 9868152
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 = 7079.46 nM 9868152
NPT382 Cell Line OVCAR-5 Homo sapiens TGI = 19054.61 nM 9868152
NPT382 Cell Line OVCAR-5 Homo sapiens LC50 = 44668.36 nM 9868152
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 = 10964.78 nM 9868152
NPT381 Cell Line OVCAR-8 Homo sapiens TGI = 26915.35 nM 9868152
NPT381 Cell Line OVCAR-8 Homo sapiens LC50 = 64565.42 nM 9868152
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 = 2570.4 nM 9868152
NPT146 Cell Line SK-OV-3 Homo sapiens TGI = 15848.93 nM 9868152
NPT146 Cell Line SK-OV-3 Homo sapiens LC50 = 40738.03 nM 9868152
NPT2 Others Unspecified GI50 = 21.88 nM 9868152
NPT2 Others Unspecified TGI = 1905.46 nM 9868152
NPT2 Others Unspecified LC50 = 14125.38 nM 9868152
NPT376 Cell Line A498 Homo sapiens GI50 = 1698.24 nM 9868152
NPT376 Cell Line A498 Homo sapiens TGI = 16982.44 nM 9868152
NPT376 Cell Line A498 Homo sapiens LC50 = 44668.36 nM 9868152
NPT369 Cell Line ACHN Homo sapiens GI50 = 4265.8 nM 9868152
NPT369 Cell Line ACHN Homo sapiens TGI = 19952.62 nM 9868152
NPT369 Cell Line ACHN Homo sapiens LC50 = 43651.58 nM 9868152
NPT308 Cell Line CAKI-1 Homo sapiens GI50 = 1905.46 nM 9868152
NPT308 Cell Line CAKI-1 Homo sapiens TGI = 28840.32 nM 9868152
NPT308 Cell Line CAKI-1 Homo sapiens LC50 = 75857.76 nM 9868152
NPT406 Cell Line RXF 393 Homo sapiens GI50 = 10 nM 9868152
NPT406 Cell Line RXF 393 Homo sapiens TGI = 269.15 nM 9868152
NPT406 Cell Line RXF 393 Homo sapiens LC50 = 7079.46 nM 9868152
NPT368 Cell Line SN12C Homo sapiens GI50 = 12022.64 nM 9868152
NPT368 Cell Line SN12C Homo sapiens TGI = 28840.32 nM 9868152
NPT368 Cell Line SN12C Homo sapiens LC50 = 67608.3 nM 9868152
NPT384 Cell Line TK-10 Homo sapiens GI50 = 6165.95 nM 9868152
NPT384 Cell Line TK-10 Homo sapiens TGI = 21877.62 nM 9868152
NPT384 Cell Line TK-10 Homo sapiens LC50 = 52480.75 nM 9868152
NPT371 Cell Line UO-31 Homo sapiens GI50 = 75.86 nM 9868152
NPT371 Cell Line UO-31 Homo sapiens TGI = 912.01 nM 9868152
NPT371 Cell Line UO-31 Homo sapiens LC50 = 5248.07 nM 9868152
NPT306 Cell Line PC-3 Homo sapiens GI50 = 251.19 nM 9868152
NPT306 Cell Line PC-3 Homo sapiens TGI = 12882.5 nM 9868152
NPT306 Cell Line PC-3 Homo sapiens LC50 = 42657.95 nM 9868152
NPT90 Cell Line DU-145 Homo sapiens GI50 = 3388.44 nM 9868152
NPT90 Cell Line DU-145 Homo sapiens TGI = 19054.61 nM 9868152
NPT90 Cell Line DU-145 Homo sapiens LC50 = 50118.72 nM 9868152
NPT83 Cell Line MCF7 Homo sapiens GI50 = 199.53 nM 9868152
NPT83 Cell Line MCF7 Homo sapiens TGI = 6025.6 nM 9868152
NPT83 Cell Line MCF7 Homo sapiens LC50 = 38904.51 nM 9868152
NPT83 Cell Line MCF7 Homo sapiens GI50 = 6918.31 nM 9868152
NPT83 Cell Line MCF7 Homo sapiens TGI = 30199.52 nM 9868152
NPT83 Cell Line MCF7 Homo sapiens LC50 = 75857.76 nM 9868152
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 = 6456.54 nM 9868152
NPT82 Cell Line MDA-MB-231 Homo sapiens TGI = 38018.94 nM 9868152
NPT82 Cell Line MDA-MB-231 Homo sapiens LC50 = 81283.05 nM 9868152
NPT2 Others Unspecified GI50 = 19.95 nM 9868152
NPT2 Others Unspecified TGI = 1096.48 nM 9868152
NPT2 Others Unspecified LC50 = 100000 nM 9868152
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 = 7585.78 nM 9868152
NPT400 Cell Line MDA-MB-435 Homo sapiens TGI = 33113.11 nM 9868152
NPT400 Cell Line MDA-MB-435 Homo sapiens LC50 = 72443.6 nM 9868152
NPT367 Cell Line MDA-N Homo sapiens GI50 = 3388.44 nM 9868152
NPT367 Cell Line MDA-N Homo sapiens TGI = 15135.61 nM 9868152
NPT367 Cell Line MDA-N Homo sapiens LC50 = 28840.32 nM 9868152
NPT457 Cell Line BT-549 Homo sapiens GI50 = 10964.78 nM 9868152
NPT457 Cell Line BT-549 Homo sapiens TGI = 39810.72 nM 9868152
NPT457 Cell Line BT-549 Homo sapiens LC50 = 83176.38 nM 9868152
NPT396 Cell Line T47D Homo sapiens GI50 = 10964.78 nM 9868152
NPT396 Cell Line T47D Homo sapiens TGI = 69183.1 nM 9868152
NPT396 Cell Line T47D Homo sapiens LC50 = 100000 nM 9868152

  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 NPC302915 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 NPC157783
0.993 High Similarity NPC158784
0.9861 High Similarity NPC2745
0.9793 High Similarity NPC325860
0.9792 High Similarity NPC195561
0.979 High Similarity NPC212142
0.9384 High Similarity NPC473876
0.9315 High Similarity NPC474397
0.931 High Similarity NPC90645
0.931 High Similarity NPC472457
0.9262 High Similarity NPC160196
0.9247 High Similarity NPC233980
0.9241 High Similarity NPC473845
0.9178 High Similarity NPC469557
0.9167 High Similarity NPC35216
0.9139 High Similarity NPC188578
0.9139 High Similarity NPC80918
0.9128 High Similarity NPC477612
0.911 High Similarity NPC50250
0.911 High Similarity NPC473108
0.9103 High Similarity NPC323126
0.9103 High Similarity NPC475891
0.9103 High Similarity NPC2613
0.9103 High Similarity NPC204347
0.9103 High Similarity NPC59841
0.9054 High Similarity NPC101376
0.9054 High Similarity NPC16269
0.9054 High Similarity NPC21776
0.9048 High Similarity NPC181615
0.9034 High Similarity NPC471389
0.9034 High Similarity NPC265075
0.9028 High Similarity NPC70682
0.9028 High Similarity NPC260741
0.9028 High Similarity NPC471388
0.9021 High Similarity NPC472800
0.8986 High Similarity NPC260397
0.898 High Similarity NPC469795
0.898 High Similarity NPC45257
0.898 High Similarity NPC93323
0.898 High Similarity NPC12641
0.898 High Similarity NPC280092
0.898 High Similarity NPC63879
0.8966 High Similarity NPC259519
0.8966 High Similarity NPC198038
0.8951 High Similarity NPC61946
0.8933 High Similarity NPC211561
0.8919 High Similarity NPC221318
0.8912 High Similarity NPC102044
0.8912 High Similarity NPC85264
0.8912 High Similarity NPC47633
0.8912 High Similarity NPC474104
0.8912 High Similarity NPC477616
0.8904 High Similarity NPC87725
0.8904 High Similarity NPC178054
0.8904 High Similarity NPC263261
0.8897 High Similarity NPC32630
0.8897 High Similarity NPC319647
0.8897 High Similarity NPC25966
0.8897 High Similarity NPC184613
0.8897 High Similarity NPC245207
0.8897 High Similarity NPC127218
0.8889 High Similarity NPC306441
0.8889 High Similarity NPC248727
0.8889 High Similarity NPC269091
0.8889 High Similarity NPC302701
0.8889 High Similarity NPC227503
0.8889 High Similarity NPC270456
0.8889 High Similarity NPC265433
0.8889 High Similarity NPC173660
0.8889 High Similarity NPC16435
0.8889 High Similarity NPC162659
0.8889 High Similarity NPC470802
0.8889 High Similarity NPC230734
0.8889 High Similarity NPC474639
0.8859 High Similarity NPC471608
0.8859 High Similarity NPC112251
0.8844 High Similarity NPC107161
0.8836 High Similarity NPC184797
0.8836 High Similarity NPC266197
0.8836 High Similarity NPC234568
0.8836 High Similarity NPC291101
0.8836 High Similarity NPC309124
0.8836 High Similarity NPC27495
0.8828 High Similarity NPC326797
0.8828 High Similarity NPC176051
0.8828 High Similarity NPC474282
0.8828 High Similarity NPC276490
0.8828 High Similarity NPC477938
0.8828 High Similarity NPC211549
0.8828 High Similarity NPC103976
0.8828 High Similarity NPC102904
0.8828 High Similarity NPC107551
0.8819 High Similarity NPC121812
0.8819 High Similarity NPC112939
0.8819 High Similarity NPC470356
0.8819 High Similarity NPC234333
0.8819 High Similarity NPC473413
0.8819 High Similarity NPC260898
0.8819 High Similarity NPC47398
0.8819 High Similarity NPC195022
0.8819 High Similarity NPC164787
0.8819 High Similarity NPC112246
0.8819 High Similarity NPC474206
0.8819 High Similarity NPC94750
0.8819 High Similarity NPC151224
0.8811 High Similarity NPC263064
0.8808 High Similarity NPC476969
0.88 High Similarity NPC294558
0.88 High Similarity NPC236202
0.88 High Similarity NPC202742
0.88 High Similarity NPC328567
0.88 High Similarity NPC262911
0.88 High Similarity NPC70409
0.88 High Similarity NPC320970
0.88 High Similarity NPC18185
0.88 High Similarity NPC58190
0.88 High Similarity NPC108811
0.88 High Similarity NPC204770
0.88 High Similarity NPC263940
0.88 High Similarity NPC320671
0.88 High Similarity NPC327412
0.88 High Similarity NPC170103
0.88 High Similarity NPC82917
0.8784 High Similarity NPC258083
0.8776 High Similarity NPC247291
0.8776 High Similarity NPC71046
0.8767 High Similarity NPC230124
0.8767 High Similarity NPC114171
0.8767 High Similarity NPC475836
0.8767 High Similarity NPC473739
0.8767 High Similarity NPC232164
0.8767 High Similarity NPC6300
0.8767 High Similarity NPC236306
0.8767 High Similarity NPC19869
0.8759 High Similarity NPC472336
0.8759 High Similarity NPC472334
0.8759 High Similarity NPC327735
0.8759 High Similarity NPC126101
0.8759 High Similarity NPC234952
0.8759 High Similarity NPC68292
0.8758 High Similarity NPC21902
0.8758 High Similarity NPC226809
0.8758 High Similarity NPC279406
0.875 High Similarity NPC218041
0.875 High Similarity NPC185955
0.875 High Similarity NPC469707
0.875 High Similarity NPC145979
0.875 High Similarity NPC183380
0.875 High Similarity NPC225815
0.875 High Similarity NPC9933
0.875 High Similarity NPC317380
0.875 High Similarity NPC478085
0.875 High Similarity NPC214326
0.875 High Similarity NPC469706
0.875 High Similarity NPC260781
0.875 High Similarity NPC182368
0.8742 High Similarity NPC281549
0.8742 High Similarity NPC227516
0.8742 High Similarity NPC20757
0.8733 High Similarity NPC475872
0.8733 High Similarity NPC96576
0.8733 High Similarity NPC317053
0.8733 High Similarity NPC324492
0.8716 High Similarity NPC186033
0.8716 High Similarity NPC175838
0.8707 High Similarity NPC34431
0.8707 High Similarity NPC73505
0.8707 High Similarity NPC308768
0.8707 High Similarity NPC295719
0.8707 High Similarity NPC254759
0.8707 High Similarity NPC165026
0.8707 High Similarity NPC12668
0.8707 High Similarity NPC22317
0.8707 High Similarity NPC160283
0.8701 High Similarity NPC106669
0.8701 High Similarity NPC224161
0.8701 High Similarity NPC78809
0.8701 High Similarity NPC475227
0.8701 High Similarity NPC200645
0.8699 High Similarity NPC242715
0.8699 High Similarity NPC266006
0.8699 High Similarity NPC56329
0.8693 High Similarity NPC324517
0.8693 High Similarity NPC321972
0.8693 High Similarity NPC329343
0.869 High Similarity NPC327382
0.869 High Similarity NPC256262
0.869 High Similarity NPC313081
0.869 High Similarity NPC472337
0.8684 High Similarity NPC318373
0.8684 High Similarity NPC321657
0.8684 High Similarity NPC44452
0.8681 High Similarity NPC92805
0.8681 High Similarity NPC11060
0.8681 High Similarity NPC475840
0.8675 High Similarity NPC153182
0.8675 High Similarity NPC174251
0.8671 High Similarity NPC103799
0.8658 High Similarity NPC469630
0.8649 High Similarity NPC472089

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC302915 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
0.8611 High Similarity NPD1612 Clinical (unspecified phase)
0.8611 High Similarity NPD1613 Approved
0.8472 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.8472 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.8403 Intermediate Similarity NPD3027 Phase 3
0.84 Intermediate Similarity NPD6674 Discontinued
0.8333 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.8333 Intermediate Similarity NPD4908 Phase 1
0.8276 Intermediate Similarity NPD4625 Phase 3
0.8264 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.8133 Intermediate Similarity NPD5844 Phase 1
0.8039 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7986 Intermediate Similarity NPD4749 Approved
0.7972 Intermediate Similarity NPD1610 Phase 2
0.7945 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7891 Intermediate Similarity NPD2861 Phase 2
0.7867 Intermediate Similarity NPD3620 Phase 2
0.7867 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD7228 Approved
0.7843 Intermediate Similarity NPD6100 Approved
0.7843 Intermediate Similarity NPD6099 Approved
0.784 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7808 Intermediate Similarity NPD8651 Approved
0.7778 Intermediate Similarity NPD1934 Approved
0.7778 Intermediate Similarity NPD37 Approved
0.7758 Intermediate Similarity NPD6234 Discontinued
0.7744 Intermediate Similarity NPD4965 Approved
0.7744 Intermediate Similarity NPD4966 Approved
0.7744 Intermediate Similarity NPD4967 Phase 2
0.7738 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7738 Intermediate Similarity NPD6166 Phase 2
0.7738 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7714 Intermediate Similarity NPD7906 Approved
0.7697 Intermediate Similarity NPD5735 Approved
0.7687 Intermediate Similarity NPD6696 Suspended
0.7657 Intermediate Similarity NPD4663 Approved
0.7643 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.764 Intermediate Similarity NPD1653 Approved
0.7636 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7632 Intermediate Similarity NPD4060 Phase 1
0.7605 Intermediate Similarity NPD5494 Approved
0.7588 Intermediate Similarity NPD7473 Discontinued
0.7582 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7582 Intermediate Similarity NPD5124 Phase 1
0.7576 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7569 Intermediate Similarity NPD1548 Phase 1
0.7562 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.756 Intermediate Similarity NPD8127 Discontinued
0.756 Intermediate Similarity NPD7199 Phase 2
0.7558 Intermediate Similarity NPD7074 Phase 3
0.7515 Intermediate Similarity NPD3051 Approved
0.7515 Intermediate Similarity NPD2801 Approved
0.7515 Intermediate Similarity NPD6232 Discontinued
0.75 Intermediate Similarity NPD7054 Approved
0.75 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7486 Intermediate Similarity NPD7312 Approved
0.7486 Intermediate Similarity NPD7310 Approved
0.7486 Intermediate Similarity NPD7313 Approved
0.7486 Intermediate Similarity NPD7311 Approved
0.7486 Intermediate Similarity NPD4577 Approved
0.7486 Intermediate Similarity NPD4578 Approved
0.7471 Intermediate Similarity NPD7240 Approved
0.7471 Intermediate Similarity NPD2970 Approved
0.7471 Intermediate Similarity NPD2969 Approved
0.7457 Intermediate Similarity NPD7472 Approved
0.7456 Intermediate Similarity NPD6959 Discontinued
0.7443 Intermediate Similarity NPD7309 Approved
0.7439 Intermediate Similarity NPD4380 Phase 2
0.7429 Intermediate Similarity NPD7549 Discontinued
0.7429 Intermediate Similarity NPD7808 Phase 3
0.7427 Intermediate Similarity NPD2489 Approved
0.7427 Intermediate Similarity NPD27 Approved
0.7417 Intermediate Similarity NPD3018 Phase 2
0.7383 Intermediate Similarity NPD5327 Phase 3
0.7381 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7372 Intermediate Similarity NPD4536 Approved
0.7372 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7372 Intermediate Similarity NPD4538 Approved
0.7368 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7361 Intermediate Similarity NPD7157 Approved
0.7361 Intermediate Similarity NPD6671 Approved
0.7346 Intermediate Similarity NPD4160 Clinical (unspecified phase)
0.7346 Intermediate Similarity NPD7447 Phase 1
0.7345 Intermediate Similarity NPD8054 Approved
0.7345 Intermediate Similarity NPD8053 Approved
0.7343 Intermediate Similarity NPD5283 Phase 1
0.7342 Intermediate Similarity NPD5762 Approved
0.7342 Intermediate Similarity NPD5763 Approved
0.732 Intermediate Similarity NPD7095 Approved
0.7314 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD7340 Approved
0.731 Intermediate Similarity NPD3787 Discontinued
0.7308 Intermediate Similarity NPD4097 Suspended
0.7308 Intermediate Similarity NPD6353 Approved
0.7305 Intermediate Similarity NPD7819 Suspended
0.7305 Intermediate Similarity NPD8455 Phase 2
0.7299 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.729 Intermediate Similarity NPD4140 Approved
0.7285 Intermediate Similarity NPD3094 Phase 2
0.7284 Intermediate Similarity NPD7213 Phase 3
0.7284 Intermediate Similarity NPD7212 Phase 2
0.7278 Intermediate Similarity NPD7075 Discontinued
0.7278 Intermediate Similarity NPD7833 Phase 2
0.7278 Intermediate Similarity NPD7832 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD7831 Phase 2
0.7273 Intermediate Similarity NPD7251 Discontinued
0.7273 Intermediate Similarity NPD6559 Discontinued
0.7267 Intermediate Similarity NPD2983 Phase 2
0.7267 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD2982 Phase 2
0.7248 Intermediate Similarity NPD1091 Approved
0.7241 Intermediate Similarity NPD3818 Discontinued
0.7233 Intermediate Similarity NPD7266 Discontinued
0.7232 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD5058 Phase 3
0.7219 Intermediate Similarity NPD7768 Phase 2
0.7219 Intermediate Similarity NPD3882 Suspended
0.7216 Intermediate Similarity NPD6797 Phase 2
0.7215 Intermediate Similarity NPD5588 Approved
0.7215 Intermediate Similarity NPD5960 Phase 3
0.7211 Intermediate Similarity NPD7741 Discontinued
0.7205 Intermediate Similarity NPD4628 Phase 3
0.7205 Intermediate Similarity NPD7466 Approved
0.7202 Intermediate Similarity NPD1465 Phase 2
0.7202 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7202 Intermediate Similarity NPD5929 Approved
0.72 Intermediate Similarity NPD2981 Phase 2
0.7198 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7195 Intermediate Similarity NPD5261 Clinical (unspecified phase)
0.7191 Intermediate Similarity NPD8313 Approved
0.7191 Intermediate Similarity NPD8312 Approved
0.7186 Intermediate Similarity NPD6072 Discontinued
0.7186 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7182 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7178 Intermediate Similarity NPD7041 Phase 2
0.7178 Intermediate Similarity NPD7040 Clinical (unspecified phase)
0.7178 Intermediate Similarity NPD1511 Approved
0.7176 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7169 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD7985 Registered
0.716 Intermediate Similarity NPD3817 Phase 2
0.7153 Intermediate Similarity NPD7843 Approved
0.7152 Intermediate Similarity NPD7097 Phase 1
0.7143 Intermediate Similarity NPD3751 Discontinued
0.7143 Intermediate Similarity NPD5177 Phase 3
0.7143 Intermediate Similarity NPD1652 Phase 2
0.7134 Intermediate Similarity NPD3657 Discovery
0.7134 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD3092 Approved
0.7125 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD7124 Phase 2
0.711 Intermediate Similarity NPD7229 Phase 3
0.711 Intermediate Similarity NPD6071 Discontinued
0.7107 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.7103 Intermediate Similarity NPD1398 Phase 1
0.7102 Intermediate Similarity NPD8156 Discontinued
0.7099 Intermediate Similarity NPD8166 Discontinued
0.7099 Intermediate Similarity NPD3892 Phase 2
0.7099 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7099 Intermediate Similarity NPD4110 Phase 3
0.7099 Intermediate Similarity NPD6331 Phase 2
0.7091 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD1512 Approved
0.709 Intermediate Similarity NPD7680 Approved
0.7083 Intermediate Similarity NPD228 Approved
0.7081 Intermediate Similarity NPD2424 Discontinued
0.707 Intermediate Similarity NPD2238 Phase 2
0.7066 Intermediate Similarity NPD4005 Discontinued
0.7059 Intermediate Similarity NPD6374 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD2563 Approved
0.7059 Intermediate Similarity NPD2560 Approved
0.7055 Intermediate Similarity NPD2677 Approved
0.7055 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD8252 Approved
0.7045 Intermediate Similarity NPD8251 Approved
0.7045 Intermediate Similarity NPD8099 Discontinued
0.703 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD7446 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD6355 Discontinued
0.7024 Intermediate Similarity NPD4675 Approved
0.7024 Intermediate Similarity NPD6599 Discontinued
0.7024 Intermediate Similarity NPD4678 Approved
0.702 Intermediate Similarity NPD3705 Approved
0.7019 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7013 Intermediate Similarity NPD4624 Approved
0.7 Intermediate Similarity NPD5126 Approved
0.7 Intermediate Similarity NPD5125 Phase 3
0.6994 Remote Similarity NPD3750 Approved
0.6994 Remote Similarity NPD4666 Phase 3
0.6994 Remote Similarity NPD7982 Clinical (unspecified phase)
0.6993 Remote Similarity NPD2684 Approved
0.6988 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6984 Remote Similarity NPD2493 Approved
0.6984 Remote Similarity NPD2494 Approved
0.6982 Remote Similarity NPD7411 Suspended
0.698 Remote Similarity NPD3091 Approved

Structure

External Identifiers

PubChem CID   643463
ChEMBL   CHEMBL232243
ZINC  

Physicochemical Properties

Molecular Weight:  562.33
ALogP:  3.0408
MLogP:  4.65
XLogP:  7.398
# Rotatable Bonds:  19
Polar Surface Area:  99.38
# H-Bond Aceptor:  2
# H-Bond Donor:  4
# Rings:  4
# Heavy Atoms:  41

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