Natural Product: NPC11332

Natural Product ID:  NPC11332
Common Name:   Rel-Solamin
IUPAC Name:   (2S)-4-[(13R)-13-hydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
Synonyms:   Solamin
Molecular Formula:   C35H64O5
Standard InCHIKey:  RBSBTRALZZSVBA-OTUMHNDOSA-N
Standard InCHI:  InChI=1S/C35H64O5/c1-3-4-5-6-7-8-12-15-18-21-24-31(36)33-26-27-34(40-33)32(37)25-22-19-16-13-10-9-11-14-17-20-23-30-28-29(2)39-35(30)38/h28-29,31-34,36-37H,3-27H2,1-2H3/t29-,31+,32+,33+,34+/m0/s1
Canonical SMILES:  CCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@@H](CCCCCCCCCCCCC1=C[C@@H](OC1=O)C)O)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
NPO9632 Annona reticulata Species Annonaceae Eukaryota PMID[8277309]
NPO2884 Annona squamosa Species Annonaceae Eukaryota PMID[21910504]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT81 Cell Line A549 Homo sapiens GI50 > 100000 nM 20547801
NPT572 Cell Line DMS-273 Homo sapiens GI50 > 100000 nM 20547801
NPT399 Cell Line SF-295 Homo sapiens GI50 = 40000 nM 21719287
NPT386 Cell Line KM12 Homo sapiens GI50 > 100000 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 > 100000 nM 18426954
NPT374 Cell Line SF-539 Homo sapiens GI50 > 100000 nM 18426954
NPT395 Cell Line SF-268 Homo sapiens GI50 > 100000 nM 18426954
NPT578 Cell Line SNB-78 Homo sapiens GI50 > 100000 nM 18426954
NPT2 Others Unspecified GI50 > 100000 nM 20853847
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 > 100000 nM 20853847
NPT148 Cell Line HCT-15 Homo sapiens GI50 > 100000 nM 24063582
NPT2 Others Unspecified GI50 = 100000 nM 18293903
NPT380 Cell Line U-251 Homo sapiens GI50 = 100000 nM 18293903
NPT180 Cell Line HCT-8 Homo sapiens ED50 > 20 ug/ml 10.1016/j.cropro.2007.04.007
NPT81 Cell Line A549 Homo sapiens ED50 > 20 ug/ml 10.1016/j.cropro.2007.04.007
NPT310 Cell Line 1A9/ptx-10 Homo sapiens Inhibition = 18 % 10.1016/j.cropro.2007.04.007
NPT91 Cell Line KB Homo sapiens ED50 > 20 ug/ml 10.1016/j.cropro.2007.04.007
NPT390 Cell Line LOX IMVI Homo sapiens GI50 = 29000 nM 24697496
NPT399 Cell Line SF-295 Homo sapiens GI50 = 100000 nM 23131412
NPT395 Cell Line SF-268 Homo sapiens GI50 = 100000 nM 23131412
NPT392 Cell Line SNB-75 Homo sapiens GI50 = 100000 nM 23131412
NPT374 Cell Line SF-539 Homo sapiens GI50 = 100000 nM 23131412
NPT83 Cell Line MCF7 Homo sapiens GI50 = 70794.58 nM 23131412
NPT2 Others Unspecified GI50 = 100000 nM 8864236
NPT380 Cell Line U-251 Homo sapiens GI50 = 100000 nM 8864236
NPT391 Cell Line HCC 2998 Homo sapiens GI50 = 100000 nM 14640510
NPT2 Others Unspecified GI50 > 100000 nM 18467095
NPT2 Others Unspecified GI50 = 100000 nM 20163894
NPT374 Cell Line SF-539 Homo sapiens GI50 > 100000 nM 22182927
NPT392 Cell Line SNB-75 Homo sapiens GI50 > 100000 nM 22182927
NPT392 Cell Line SNB-75 Homo sapiens GI50 > 100000 nM Open TG-GATES in vivo data: Hematology
NPT380 Cell Line U-251 Homo sapiens GI50 > 100000 nM Open TG-GATES in vivo data: Hematology
NPT83 Cell Line MCF7 Homo sapiens GI50 = 71000 nM 25435149
NPT370 Cell Line NCI-H23 Homo sapiens GI50 = 73000 nM 25435149
NPT111 Cell Line K562 Homo sapiens IG = 39 % 25435149
NPT111 Cell Line K562 Homo sapiens IG = 59 % 25435149
NPT116 Cell Line HL-60 Homo sapiens IG = 0 % 25435149
NPT1097 Cell Line MKN-45 Homo sapiens GI50 > 100000 nM 10.1007/s00044-012-0284-7
NPT1179 Cell Line MKN-28 Homo sapiens GI50 = 14000 nM 10.1007/s00044-012-0284-7
NPT386 Cell Line KM12 Homo sapiens GI50 > 100000 nM 8277308
NPT2722 Cell Line St-4 Homo sapiens GI50 = 100000 nM 26848627
NPT369 Cell Line ACHN Homo sapiens GI50 = 100000 nM 25314007
NPT2398 Cell Line MKN-7 Homo sapiens GI50 = 12882.5 nM 25314007
NPT2 Others Unspecified GI50 = 100000 nM 25314007
NPT1097 Cell Line MKN-45 Homo sapiens GI50 = 100000 nM 25314007
NPT1179 Cell Line MKN-28 Homo sapiens GI50 = 14125.38 nM 25314007
NPT90 Cell Line DU-145 Homo sapiens GI50 = 100000 nM 25314007
NPT2723 Cell Line MKN-74 Homo sapiens GI50 = 100000 nM 25314007
NPT306 Cell Line PC-3 Homo sapiens GI50 = 100000 nM 25314007
NPT168 Cell Line P388 Mus musculus ED50 = 4 ug/ml 24164206
NPT397 Cell Line NCI-H460 Homo sapiens GI50 > 100000 nM 12932139
NPT455 Cell Line NCI-H522 Homo sapiens GI50 = 58000 nM 12932139
NPT1179 Cell Line MKN-28 Homo sapiens GI50 = 14000 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 = 100000 nM 24328302
NPT2 Others Unspecified GI50 = 100000 nM 9157194
NPT392 Cell Line SNB-75 Homo sapiens GI50 = 100000 nM 9157194
NPT374 Cell Line SF-539 Homo sapiens GI50 = 100000 nM 9157194
NPT399 Cell Line SF-295 Homo sapiens GI50 = 39810.72 nM 26343828
NPT395 Cell Line SF-268 Homo sapiens GI50 = 100000 nM 26343828
NPT307 Cell Line HOS Homo sapiens ED50 > 20 ug/ml 18232640
NPT139 Cell Line HT-29 Homo sapiens GI50 > 100000 nM 22691179
NPT576 Cell Line DMS-114 Homo sapiens GI50 = 4365.16 nM 24359303
NPT390 Cell Line LOX IMVI Homo sapiens GI50 = 29512.09 nM 24359303
NPT370 Cell Line NCI-H23 Homo sapiens GI50 = 72443.6 nM 24437979
NPT405 Cell Line NCI-H226 Homo sapiens GI50 = 100000 nM 24437979
NPT455 Cell Line NCI-H522 Homo sapiens GI50 = 57543.99 nM 24437979
NPT397 Cell Line NCI-H460 Homo sapiens GI50 = 100000 nM 24437979
NPT81 Cell Line A549 Homo sapiens GI50 = 100000 nM 24437979
NPT572 Cell Line DMS-273 Homo sapiens GI50 = 100000 nM 24437979
NPT369 Cell Line ACHN Homo sapiens GI50 > 100000 nM 15270571
NPT2722 Cell Line St-4 Homo sapiens GI50 > 100000 nM 15270571
NPT576 Cell Line DMS-114 Homo sapiens GI50 = 4300 nM 15270571
NPT390 Cell Line LOX IMVI Homo sapiens GI50 = 29000 nM 15270571
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 > 100000 nM 15270571
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 > 100000 nM 15270571
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 > 100000 nM 15270571
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 > 100000 nM 15270571
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 > 100000 nM 15270571
NPT2 Others Unspecified GI50 > 100000 nM 22545792
NPT2 Others Unspecified GI50 = 100000 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 = 100000 nM 17844995
NPT91 Cell Line KB Homo sapiens ED50 = 3 ug/ml 18314958
NPT455 Cell Line NCI-H522 Homo sapiens GI50 = 58000 nM 23972215
NPT2723 Cell Line MKN-74 Homo sapiens GI50 > 100000 nM 25871261
NPT90 Cell Line DU-145 Homo sapiens GI50 > 100000 nM 25871261
NPT2 Others Unspecified GI50 > 100000 nM 18986200
NPT2398 Cell Line MKN-7 Homo sapiens GI50 = 13000 nM 17845002
NPT2 Others Unspecified GI50 > 100000 nM 17845002
NPT1097 Cell Line MKN-45 Homo sapiens GI50 > 100000 nM 11858750
NPT1179 Cell Line MKN-28 Homo sapiens GI50 = 14000 nM 11858750
NPT90 Cell Line DU-145 Homo sapiens GI50 > 100000 nM 11858750
NPT2723 Cell Line MKN-74 Homo sapiens GI50 > 100000 nM 11858750
NPT306 Cell Line PC-3 Homo sapiens GI50 > 100000 nM 11858750
NPT576 Cell Line DMS-114 Homo sapiens GI50 = 4300 nM 8350094
NPT2398 Cell Line MKN-7 Homo sapiens GI50 = 13000 nM 8350094
NPT2 Others Unspecified GI50 > 100000 nM 18718694
NPT2 Others Unspecified GI50 > 100000 nM 21524583
NPT2 Others Unspecified GI50 = 100000 nM 22440624
NPT391 Cell Line HCC 2998 Homo sapiens GI50 > 100000 nM 24941130
NPT578 Cell Line SNB-78 Homo sapiens GI50 > 100000 nM 24941130
NPT2 Others Unspecified GI50 = 100000 nM 23031596
NPT2722 Cell Line St-4 Homo sapiens GI50 = 100000 nM 19691312
NPT2 Others Unspecified GI50 = 100000 nM 22260294
NPT2 Others Unspecified GI50 > 100000 nM 23571415
NPT2398 Cell Line MKN-7 Homo sapiens GI50 = 12882.5 nM 7964780
NPT2 Others Unspecified GI50 = 100000 nM 7964780
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 = 100000 nM 7964780
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 = 100000 nM 7964780
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 = 100000 nM 7964780
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 = 100000 nM 7964780
NPT2722 Cell Line St-4 Homo sapiens GI50 = 100000 nM 7964780
NPT369 Cell Line ACHN Homo sapiens GI50 = 100000 nM 14640522
NPT2 Others Unspecified GI50 = 100000 nM 14640522
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 = 100000 nM 14640522
NPT2 Others Unspecified GI50 = 100000 nM 22182501
NPT2 Others Unspecified GI50 = 39810.72 nM 22182501
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 = 100000 nM 22182501
NPT397 Cell Line NCI-H460 Homo sapiens GI50 = 100000 nM 22168134
NPT572 Cell Line DMS-273 Homo sapiens GI50 > 100000 nM 23644188
NPT81 Cell Line A549 Homo sapiens GI50 > 100000 nM 23644188
NPT393 Cell Line HCT-116 Homo sapiens GI50 > 100000 nM 23644188
NPT148 Cell Line HCT-15 Homo sapiens GI50 > 100000 nM 23644188
NPT139 Cell Line HT-29 Homo sapiens GI50 > 100000 nM 23571415
NPT386 Cell Line KM12 Homo sapiens GI50 > 100000 nM 23571415
NPT397 Cell Line NCI-H460 Homo sapiens GI50 > 100000 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 = 58000 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 > 100000 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 > 100000 nM 16309305
NPT2722 Cell Line St-4 Homo sapiens GI50 > 100000 nM 16309305
NPT390 Cell Line LOX IMVI Homo sapiens GI50 = 29000 nM 22364746
NPT576 Cell Line DMS-114 Homo sapiens GI50 = 4300 nM 22364746
NPT392 Cell Line SNB-75 Homo sapiens GI50 = 100000 nM Open TG-GATES in vivo data: Hematology
NPT2 Others Unspecified GI50 = 100000 nM Open TG-GATES in vivo data: Hematology
NPT75 Cell Line U251 Homo sapiens GI50 = 100000 nM Open TG-GATES in vivo data: Hematology
NPT395 Cell Line SF-268 Homo sapiens GI50 = 100000 nM Open TG-GATES in vivo data: Hematology
NPT83 Cell Line MCF7 Homo sapiens GI50 = 70794.58 nM Open TG-GATES in vivo data: Hematology
NPT2 Others Unspecified GI50 > 100000 nM Open TG-GATES in vivo data: Biochemistry
NPT374 Cell Line SF-539 Homo sapiens GI50 > 100000 nM 19267453
NPT370 Cell Line NCI-H23 Homo sapiens GI50 = 73000 nM 25337628
NPT405 Cell Line NCI-H226 Homo sapiens GI50 > 100000 nM 25337628
NPT393 Cell Line HCT-116 Homo sapiens GI50 = 100000 nM 23265253
NPT306 Cell Line PC-3 Homo sapiens GI50 = 100000 nM 23265253
NPT148 Cell Line HCT-15 Homo sapiens GI50 = 100000 nM 23265253
NPT2723 Cell Line MKN-74 Homo sapiens GI50 = 100000 nM 23265253
NPT1179 Cell Line MKN-28 Homo sapiens GI50 = 14125.38 nM 17547457
NPT1097 Cell Line MKN-45 Homo sapiens GI50 = 100000 nM 17547457
NPT593 Organism Bursaphelenchus xylophilus Bursaphelenchus xylophilus LC50 > 1 ug/ml 19572613
NPT386 Cell Line KM12 Homo sapiens GI50 = 100000 nM 12217376
NPT139 Cell Line HT-29 Homo sapiens GI50 = 100000 nM 12217376
NPT90 Cell Line DU-145 Homo sapiens GI50 > 100000 nM 24571273
NPT306 Cell Line PC-3 Homo sapiens GI50 > 100000 nM 24571273
NPT2722 Cell Line St-4 Homo sapiens GI50 > 100000 nM 24571273
NPT2 Others Unspecified GI50 > 100000 nM 24571273
NPT1097 Cell Line MKN-45 Homo sapiens GI50 > 100000 nM 24571273
NPT2723 Cell Line MKN-74 Homo sapiens GI50 > 100000 nM 24571273
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 > 100000 nM 24571273
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 > 100000 nM 24571273
NPT369 Cell Line ACHN Homo sapiens GI50 > 100000 nM 24571273
NPT4515 Individual Protein NADH-ubiquinone oxidoreductase chain 1 Bos taurus IC50 = 2.1 nM 22917857
NPT2398 Cell Line MKN-7 Homo sapiens GI50 = 13000 nM 12932130
NPT2 Others Unspecified GI50 = 4265.8 nM 10.1021/np50041a029
NPT2 Others Unspecified GI50 = 28840.32 nM 10.1021/np50041a029
NPT2 Others Unspecified GI50 = 100000 nM 10.1021/np50041a029
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 = 100000 nM 10.1021/np50041a029
NPT2 Others Unspecified GI50 = 100000 nM 14640569
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 > 100000 nM 23734701
NPT2 Others Unspecified GI50 > 100000 nM 23734701
NPT386 Cell Line KM12 Homo sapiens GI50 = 100000 nM 22445674
NPT2 Others Unspecified GI50 = 100000 nM 22445674
NPT139 Cell Line HT-29 Homo sapiens GI50 = 100000 nM 22445674
NPT370 Cell Line NCI-H23 Homo sapiens GI50 = 72443.6 nM 17723297
NPT2 Others Unspecified GI50 = 100000 nM 17723297
NPT455 Cell Line NCI-H522 Homo sapiens GI50 = 57543.99 nM 17723297
NPT405 Cell Line NCI-H226 Homo sapiens GI50 = 100000 nM 17723297
NPT81 Cell Line A549 Homo sapiens GI50 = 100000 nM 17723297
NPT380 Cell Line U-251 Homo sapiens GI50 > 100000 nM 20695474
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 > 100000 nM 20695474
NPT83 Cell Line MCF7 Homo sapiens GI50 = 71000 nM 20695474
NPT306 Cell Line PC-3 Homo sapiens GI50 > 100000 nM 23352268
NPT139 Cell Line HT-29 Homo sapiens GI50 = 100000 nM DrugMatrix in vivo data: Pathology
NPT148 Cell Line HCT-15 Homo sapiens GI50 > 100000 nM 22409377
NPT393 Cell Line HCT-116 Homo sapiens GI50 > 100000 nM 22409377
NPT2 Others Unspecified GI50 > 100000 nM DrugMatrix in vivo data: Pathology
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 > 100000 nM 18070971
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 > 100000 nM 18070971
NPT393 Cell Line HCT-116 Homo sapiens GI50 > 100000 nM 18070971
NPT405 Cell Line NCI-H226 Homo sapiens GI50 > 100000 nM 18070971
NPT139 Cell Line HT-29 Homo sapiens GI50 > 100000 nM 18070971
NPT572 Cell Line DMS-273 Homo sapiens GI50 > 100000 nM 18070971
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 > 100000 nM 18070971
NPT397 Cell Line NCI-H460 Homo sapiens GI50 > 100000 nM 18070971
NPT81 Cell Line A549 Homo sapiens GI50 > 100000 nM 18070971
NPT578 Cell Line SNB-78 Homo sapiens GI50 = 100000 nM 19785389
NPT2 Others Unspecified GI50 = 100000 nM 19785389
NPT386 Cell Line KM12 Homo sapiens GI50 = 100000 nM 23944963
NPT148 Cell Line HCT-15 Homo sapiens GI50 = 100000 nM 23944963
NPT393 Cell Line HCT-116 Homo sapiens GI50 = 100000 nM 16643059
NPT370 Cell Line NCI-H23 Homo sapiens GI50 = 72443.6 nM 16643059
NPT405 Cell Line NCI-H226 Homo sapiens GI50 = 100000 nM 16643059
NPT455 Cell Line NCI-H522 Homo sapiens GI50 = 57543.99 nM 16643059
NPT397 Cell Line NCI-H460 Homo sapiens GI50 = 100000 nM 19425589
NPT83 Cell Line MCF7 Homo sapiens ED50 > 20 ug/ml 16643028
NPT90 Cell Line DU-145 Homo sapiens GI50 = 100000 nM 21676619
NPT2 Others Unspecified GI50 = 100000 nM 25529740
NPT83 Cell Line MCF7 Homo sapiens GI50 = 70794.58 nM 27077705
NPT2 Others Unspecified GI50 = 14125.38 nM 19115836
NPT2 Others Unspecified GI50 = 12882.5 nM 19115836
NPT2 Others Unspecified GI50 = 100000 nM 19115836
NPT90 Cell Line DU-145 Homo sapiens GI50 = 100000 nM 23806109
NPT309 Cell Line 1A9 Homo sapiens ED50 = 7.8 ug/ml 25906329
NPT2 Others Unspecified GI50 > 100000 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 > 100000 nM 12350156
NPT380 Cell Line U-251 Homo sapiens GI50 > 100000 nM 12350156
NPT2 Others Unspecified GI50 > 100000 nM 18468908
NPT83 Cell Line MCF7 Homo sapiens GI50 = 71000 nM 18468908
NPT392 Cell Line SNB-75 Homo sapiens GI50 > 100000 nM 8064806
NPT395 Cell Line SF-268 Homo sapiens GI50 > 100000 nM 8064806
NPT399 Cell Line SF-295 Homo sapiens GI50 = 40000 nM 8064806
NPT578 Cell Line SNB-78 Homo sapiens GI50 > 100000 nM 8064806
NPT391 Cell Line HCC 2998 Homo sapiens GI50 > 100000 nM 8064806
NPT370 Cell Line NCI-H23 Homo sapiens GI50 = 73000 nM 18694945
NPT395 Cell Line SF-268 Homo sapiens GI50 > 100000 nM DrugMatrix in vivo data: Pathology
NPT399 Cell Line SF-295 Homo sapiens GI50 = 40000 nM DrugMatrix in vivo data: Pathology
NPT111 Cell Line K562 Homo sapiens IG = 29 % 19746976
NPT116 Cell Line HL-60 Homo sapiens IG = 24 % 26003344
NPT116 Cell Line HL-60 Homo sapiens IG = 8 % 26003344
NPT2 Others Unspecified GI50 = 100000 nM 23550966
NPT2 Others Unspecified GI50 = 100000 nM 22584254
NPT578 Cell Line SNB-78 Homo sapiens GI50 = 100000 nM 15165138
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 = 100000 nM 18271551
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 = 100000 nM 11170682
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 = 100000 nM 11170682
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 = 100000 nM 11170682
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 = 100000 nM 19618920
NPT576 Cell Line DMS-114 Homo sapiens GI50 = 4265.8 nM 19618920
NPT390 Cell Line LOX IMVI Homo sapiens GI50 = 28840.32 nM 19618920
NPT81 Cell Line A549 Homo sapiens GI50 = 100000 nM 19618920
NPT572 Cell Line DMS-273 Homo sapiens GI50 = 100000 nM 17489632

  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 NPC11332 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 NPC180363
1.0 High Similarity NPC65930
1.0 High Similarity NPC73310
1.0 High Similarity NPC473712
1.0 High Similarity NPC473529
1.0 High Similarity NPC329829
1.0 High Similarity NPC475159
1.0 High Similarity NPC131002
1.0 High Similarity NPC94875
1.0 High Similarity NPC473780
1.0 High Similarity NPC145914
0.987 High Similarity NPC253801
0.987 High Similarity NPC144415
0.9744 High Similarity NPC163093
0.9744 High Similarity NPC156804
0.962 High Similarity NPC292809
0.962 High Similarity NPC477014
0.962 High Similarity NPC319036
0.962 High Similarity NPC110710
0.962 High Similarity NPC9678
0.962 High Similarity NPC39167
0.962 High Similarity NPC473669
0.962 High Similarity NPC132496
0.962 High Similarity NPC66346
0.962 High Similarity NPC77871
0.962 High Similarity NPC103284
0.962 High Similarity NPC100921
0.962 High Similarity NPC235809
0.962 High Similarity NPC477013
0.962 High Similarity NPC231009
0.962 High Similarity NPC477018
0.962 High Similarity NPC475268
0.962 High Similarity NPC286338
0.962 High Similarity NPC223871
0.962 High Similarity NPC473156
0.962 High Similarity NPC473651
0.962 High Similarity NPC107986
0.962 High Similarity NPC39279
0.962 High Similarity NPC473671
0.962 High Similarity NPC329615
0.962 High Similarity NPC120398
0.962 High Similarity NPC82795
0.962 High Similarity NPC471567
0.962 High Similarity NPC470400
0.962 High Similarity NPC473478
0.962 High Similarity NPC329838
0.962 High Similarity NPC1083
0.962 High Similarity NPC283085
0.962 High Similarity NPC25764
0.962 High Similarity NPC202055
0.962 High Similarity NPC322529
0.95 High Similarity NPC279267
0.95 High Similarity NPC282815
0.95 High Similarity NPC134807
0.95 High Similarity NPC309211
0.95 High Similarity NPC107717
0.95 High Similarity NPC62118
0.95 High Similarity NPC477015
0.95 High Similarity NPC134865
0.95 High Similarity NPC171174
0.95 High Similarity NPC103523
0.95 High Similarity NPC473840
0.95 High Similarity NPC293136
0.95 High Similarity NPC142117
0.95 High Similarity NPC241360
0.95 High Similarity NPC475581
0.95 High Similarity NPC477010
0.95 High Similarity NPC473687
0.95 High Similarity NPC210218
0.95 High Similarity NPC134885
0.95 High Similarity NPC219652
0.95 High Similarity NPC69082
0.95 High Similarity NPC132940
0.95 High Similarity NPC219498
0.95 High Similarity NPC232555
0.95 High Similarity NPC25703
0.95 High Similarity NPC114694
0.95 High Similarity NPC231096
0.95 High Similarity NPC240695
0.95 High Similarity NPC308412
0.95 High Similarity NPC204686
0.9383 High Similarity NPC473649
0.9383 High Similarity NPC473995
0.9383 High Similarity NPC159750
0.9383 High Similarity NPC154097
0.9383 High Similarity NPC470401
0.9383 High Similarity NPC476583
0.9383 High Similarity NPC258068
0.9383 High Similarity NPC178215
0.9383 High Similarity NPC477012
0.9383 High Similarity NPC20533
0.9268 High Similarity NPC287164
0.9268 High Similarity NPC100454
0.9268 High Similarity NPC169511
0.9268 High Similarity NPC242364
0.9268 High Similarity NPC261952
0.9268 High Similarity NPC48338
0.9268 High Similarity NPC320569
0.9268 High Similarity NPC280621
0.9268 High Similarity NPC172821
0.9268 High Similarity NPC171135
0.9268 High Similarity NPC234077
0.9268 High Similarity NPC20339
0.9268 High Similarity NPC39754
0.9268 High Similarity NPC133730
0.9268 High Similarity NPC81045
0.9268 High Similarity NPC151403
0.9268 High Similarity NPC191929
0.9268 High Similarity NPC274446
0.9268 High Similarity NPC473905
0.9268 High Similarity NPC89001
0.9268 High Similarity NPC61257
0.9268 High Similarity NPC21208
0.9268 High Similarity NPC320458
0.9268 High Similarity NPC40376
0.9268 High Similarity NPC233551
0.9259 High Similarity NPC112685
0.9157 High Similarity NPC93794
0.9157 High Similarity NPC81778
0.9157 High Similarity NPC42598
0.9157 High Similarity NPC477011
0.9157 High Similarity NPC130359
0.9157 High Similarity NPC14901
0.9157 High Similarity NPC20621
0.9157 High Similarity NPC318963
0.9157 High Similarity NPC477016
0.9157 High Similarity NPC91067
0.9157 High Similarity NPC473504
0.9157 High Similarity NPC139418
0.9157 High Similarity NPC477017
0.9157 High Similarity NPC40066
0.9157 High Similarity NPC280612
0.9136 High Similarity NPC182383
0.9048 High Similarity NPC239517
0.9048 High Similarity NPC473904
0.9024 High Similarity NPC47937
0.8837 High Similarity NPC473663
0.8837 High Similarity NPC475173
0.8837 High Similarity NPC473561
0.8837 High Similarity NPC473520
0.8837 High Similarity NPC473723
0.8837 High Similarity NPC11456
0.8721 High Similarity NPC473707
0.8442 Intermediate Similarity NPC84038
0.8333 Intermediate Similarity NPC474705
0.8235 Intermediate Similarity NPC21469
0.8182 Intermediate Similarity NPC476004
0.8182 Intermediate Similarity NPC474761
0.8182 Intermediate Similarity NPC473448
0.809 Intermediate Similarity NPC30515
0.8072 Intermediate Similarity NPC47653
0.8068 Intermediate Similarity NPC295312
0.8052 Intermediate Similarity NPC218477
0.8 Intermediate Similarity NPC179746
0.8 Intermediate Similarity NPC81419
0.8 Intermediate Similarity NPC273579
0.8 Intermediate Similarity NPC162205
0.8 Intermediate Similarity NPC475947
0.8 Intermediate Similarity NPC288240
0.8 Intermediate Similarity NPC295204
0.7978 Intermediate Similarity NPC51004
0.7978 Intermediate Similarity NPC473619
0.7931 Intermediate Similarity NPC164393
0.7931 Intermediate Similarity NPC469483
0.7927 Intermediate Similarity NPC475711
0.7889 Intermediate Similarity NPC184463
0.7889 Intermediate Similarity NPC12172
0.7889 Intermediate Similarity NPC208886
0.7889 Intermediate Similarity NPC473321
0.7882 Intermediate Similarity NPC474291
0.7875 Intermediate Similarity NPC144419
0.7865 Intermediate Similarity NPC307411
0.7865 Intermediate Similarity NPC474032
0.7841 Intermediate Similarity NPC160138
0.7841 Intermediate Similarity NPC248602
0.7831 Intermediate Similarity NPC93763
0.7831 Intermediate Similarity NPC221095
0.7831 Intermediate Similarity NPC279214
0.7831 Intermediate Similarity NPC108816
0.7826 Intermediate Similarity NPC36954
0.7821 Intermediate Similarity NPC141481
0.7821 Intermediate Similarity NPC324981
0.7821 Intermediate Similarity NPC48218
0.7821 Intermediate Similarity NPC473559
0.7816 Intermediate Similarity NPC137033
0.7805 Intermediate Similarity NPC123360
0.7802 Intermediate Similarity NPC476300
0.7802 Intermediate Similarity NPC475912
0.7791 Intermediate Similarity NPC229799
0.7791 Intermediate Similarity NPC284472
0.7791 Intermediate Similarity NPC286770
0.7791 Intermediate Similarity NPC11620
0.7778 Intermediate Similarity NPC474098
0.7778 Intermediate Similarity NPC475995
0.7778 Intermediate Similarity NPC474321
0.7766 Intermediate Similarity NPC187268
0.7766 Intermediate Similarity NPC473326
0.7753 Intermediate Similarity NPC202672
0.7753 Intermediate Similarity NPC153805
0.7753 Intermediate Similarity NPC227379

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC11332 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
0.7778 Intermediate Similarity NPD6698 Approved
0.7778 Intermediate Similarity NPD46 Approved
0.74 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD7838 Discovery
0.7157 Intermediate Similarity NPD6686 Approved
0.7128 Intermediate Similarity NPD7983 Approved
0.7089 Intermediate Similarity NPD3197 Phase 1
0.6869 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6857 Remote Similarity NPD6371 Approved
0.6848 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6842 Remote Similarity NPD5785 Approved
0.6813 Remote Similarity NPD5362 Discontinued
0.6813 Remote Similarity NPD7154 Phase 3
0.6735 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6705 Remote Similarity NPD4756 Discovery
0.6703 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6702 Remote Similarity NPD4250 Approved
0.6702 Remote Similarity NPD4251 Approved
0.67 Remote Similarity NPD4225 Approved
0.6667 Remote Similarity NPD5363 Approved
0.6667 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6636 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6627 Remote Similarity NPD4247 Clinical (unspecified phase)
0.6596 Remote Similarity NPD4249 Approved
0.6535 Remote Similarity NPD7638 Approved
0.65 Remote Similarity NPD4246 Clinical (unspecified phase)
0.6484 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6477 Remote Similarity NPD8039 Approved
0.6471 Remote Similarity NPD7639 Approved
0.6471 Remote Similarity NPD7640 Approved
0.6444 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6408 Remote Similarity NPD5344 Discontinued
0.6392 Remote Similarity NPD1695 Approved
0.6386 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6383 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6364 Remote Similarity NPD3196 Approved
0.6364 Remote Similarity NPD5778 Approved
0.6364 Remote Similarity NPD4266 Approved
0.6364 Remote Similarity NPD3730 Approved
0.6364 Remote Similarity NPD3728 Approved
0.6364 Remote Similarity NPD5779 Approved
0.6364 Remote Similarity NPD3194 Approved
0.6364 Remote Similarity NPD3195 Phase 2
0.6344 Remote Similarity NPD6435 Approved
0.6344 Remote Similarity NPD4269 Approved
0.6344 Remote Similarity NPD5209 Approved
0.6344 Remote Similarity NPD4270 Approved
0.6337 Remote Similarity NPD7839 Suspended
0.6316 Remote Similarity NPD1694 Approved
0.6304 Remote Similarity NPD4252 Approved
0.6296 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6277 Remote Similarity NPD6110 Phase 1
0.6277 Remote Similarity NPD5332 Approved
0.6277 Remote Similarity NPD5331 Approved
0.6273 Remote Similarity NPD6053 Discontinued
0.6264 Remote Similarity NPD4271 Approved
0.6264 Remote Similarity NPD4268 Approved
0.625 Remote Similarity NPD6109 Phase 1
0.625 Remote Similarity NPD5786 Approved
0.6237 Remote Similarity NPD5369 Approved
0.6237 Remote Similarity NPD4790 Discontinued
0.6234 Remote Similarity NPD3172 Approved
0.6195 Remote Similarity NPD7115 Discovery
0.6186 Remote Similarity NPD7507 Approved
0.6184 Remote Similarity NPD6927 Phase 3
0.6145 Remote Similarity NPD2664 Clinical (unspecified phase)
0.6129 Remote Similarity NPD4820 Approved
0.6129 Remote Similarity NPD4819 Approved
0.6129 Remote Similarity NPD4821 Approved
0.6129 Remote Similarity NPD5368 Approved
0.6129 Remote Similarity NPD4822 Approved
0.6121 Remote Similarity NPD8516 Approved
0.6121 Remote Similarity NPD8517 Approved
0.6121 Remote Similarity NPD8515 Approved
0.6121 Remote Similarity NPD8513 Phase 3
0.6118 Remote Similarity NPD3704 Approved
0.6033 Remote Similarity NPD7319 Approved
0.6017 Remote Similarity NPD7829 Approved
0.6017 Remote Similarity NPD7830 Approved
0.6 Remote Similarity NPD6648 Approved
0.598 Remote Similarity NPD7748 Approved
0.598 Remote Similarity NPD5282 Discontinued
0.5974 Remote Similarity NPD28 Approved
0.5974 Remote Similarity NPD29 Approved
0.5963 Remote Similarity NPD6412 Phase 2
0.5946 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5941 Remote Similarity NPD7637 Suspended
0.593 Remote Similarity NPD7331 Phase 2
0.593 Remote Similarity NPD6108 Clinical (unspecified phase)
0.59 Remote Similarity NPD5764 Clinical (unspecified phase)
0.59 Remote Similarity NPD6101 Approved
0.59 Remote Similarity NPD5370 Suspended
0.5897 Remote Similarity NPD8294 Approved
0.5897 Remote Similarity NPD8377 Approved
0.5893 Remote Similarity NPD7116 Clinical (unspecified phase)
0.5888 Remote Similarity NPD7632 Discontinued
0.5868 Remote Similarity NPD8074 Phase 3
0.5865 Remote Similarity NPD4792 Clinical (unspecified phase)
0.5862 Remote Similarity NPD7327 Approved
0.5862 Remote Similarity NPD7328 Approved
0.5854 Remote Similarity NPD9119 Approved
0.5854 Remote Similarity NPD69 Approved
0.5847 Remote Similarity NPD8335 Approved
0.5847 Remote Similarity NPD8378 Approved
0.5847 Remote Similarity NPD8033 Approved
0.5847 Remote Similarity NPD8380 Approved
0.5847 Remote Similarity NPD8379 Approved
0.5847 Remote Similarity NPD8296 Approved
0.5841 Remote Similarity NPD8297 Approved
0.5833 Remote Similarity NPD6647 Phase 2
0.5827 Remote Similarity NPD7966 Clinical (unspecified phase)
0.5812 Remote Similarity NPD7516 Approved
0.581 Remote Similarity NPD6083 Phase 2
0.581 Remote Similarity NPD6084 Phase 2
0.581 Remote Similarity NPD7902 Approved
0.58 Remote Similarity NPD6903 Approved
0.5789 Remote Similarity NPD4632 Approved
0.5784 Remote Similarity NPD7515 Phase 2
0.5784 Remote Similarity NPD6411 Approved
0.5784 Remote Similarity NPD4810 Clinical (unspecified phase)
0.5758 Remote Similarity NPD7521 Approved
0.5758 Remote Similarity NPD5330 Approved
0.5758 Remote Similarity NPD6422 Discontinued
0.5758 Remote Similarity NPD7334 Approved
0.5758 Remote Similarity NPD7146 Approved
0.5758 Remote Similarity NPD6409 Approved
0.5758 Remote Similarity NPD6684 Approved
0.575 Remote Similarity NPD7642 Approved
0.5732 Remote Similarity NPD9118 Approved
0.5728 Remote Similarity NPD6399 Phase 3
0.5726 Remote Similarity NPD7641 Discontinued
0.5714 Remote Similarity NPD8444 Approved
0.5714 Remote Similarity NPD3173 Approved
0.5702 Remote Similarity NPD7492 Approved
0.5698 Remote Similarity NPD7909 Approved
0.5691 Remote Similarity NPD7736 Approved
0.5688 Remote Similarity NPD2259 Approved
0.5688 Remote Similarity NPD2258 Approved
0.5676 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5664 Remote Similarity NPD6421 Discontinued
0.5664 Remote Similarity NPD2067 Discontinued
0.5656 Remote Similarity NPD8273 Phase 1
0.5656 Remote Similarity NPD6616 Approved
0.5652 Remote Similarity NPD8133 Approved
0.5644 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5644 Remote Similarity NPD6672 Approved
0.5644 Remote Similarity NPD5737 Approved
0.5641 Remote Similarity NPD7505 Discontinued
0.5641 Remote Similarity NPD7500 Approved
0.563 Remote Similarity NPD6319 Approved
0.563 Remote Similarity NPD6054 Approved
0.5625 Remote Similarity NPD8259 Clinical (unspecified phase)
0.5625 Remote Similarity NPD7320 Approved
0.5625 Remote Similarity NPD6881 Approved
0.5625 Remote Similarity NPD6899 Approved
0.5619 Remote Similarity NPD5695 Phase 3
0.5614 Remote Similarity NPD8130 Phase 1
0.5614 Remote Similarity NPD2204 Approved
0.561 Remote Similarity NPD8293 Discontinued
0.561 Remote Similarity NPD7078 Approved

Structure

External Identifiers

PubChem CID   11813755
ChEMBL   CHEMBL320753
ZINC  

Physicochemical Properties

Molecular Weight:  564.48
ALogP:  -7.8926
MLogP:  4.76
XLogP:  12.199
# Rotatable Bonds:  30
Polar Surface Area:  75.99
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  40

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Similar NPs/Drugs