Natural Product: NPC299808

Natural Product ID:  NPC299808
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C13H15NO2
Standard InCHIKey:  SWZMSZQQJRKFBP-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C13H15NO2/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11/h4-5,7,10-11H,1-3,6,8H2
Canonical SMILES:  O=C1C=C2C3(O1)CC(C=C2)N1C3CCCC1
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
NPO19434 Securinega suffruticosa Species Phyllanthaceae Eukaryota TCM_Taiwan*
NPO19434 Securinega suffruticosa Species Phyllanthaceae Eukaryota HerDing*
NPO19434 Securinega suffruticosa Species Phyllanthaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT367 Cell Line MDA-N Homo sapiens GI50 35974.93 nM PubChem BioAssay data set
NPT367 Cell Line MDA-N Homo sapiens GI50 18836.49 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 25003.45 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 11830.42 nM PubChem BioAssay data set
NPT367 Cell Line MDA-N Homo sapiens GI50 16826.74 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 14791.08 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 19906.73 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 31695.67 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 15922.09 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 15031.42 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 13835.66 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 50118.72 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 23878.11 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 12676.52 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 38370.72 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 14521.12 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 18323.14 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 4140 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 22803.42 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 17218.69 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 12705.74 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 42559.84 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 23173.95 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 19906.73 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 7144.96 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 26977.39 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 15922.09 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 14859.36 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 34833.73 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 28379.19 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 48865.24 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 32734.07 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 3147.75 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 14689.26 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 17258.38 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 21478.3 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 18578.04 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 40644.33 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 10256.52 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 42657.95 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 469.89 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 16749.43 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 27733.2 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 17298.16 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 35399.73 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 60953.69 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 20044.72 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 21330.45 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 25941.79 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 28313.92 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 19054.61 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 34673.69 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 28313.92 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 32433.96 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 39719.15 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 18663.8 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 21627.19 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 19054.61 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 13614.45 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 13677.29 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 17298.16 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 30974.19 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 38018.94 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 16943.38 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 10139.11 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 32809.53 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 19230.92 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 14791.08 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 11142.95 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 54450.27 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 28119.01 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 12531.41 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 24043.63 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 22130.95 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 23659.2 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 29241.52 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 54954.09 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 7447.32 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 15135.61 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 53333.49 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 65012.97 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 25822.6 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 22490.55 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 17988.71 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 17701.09 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 36982.82 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 13772.09 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 10789.47 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 28119.01 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 16826.74 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 27861.21 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 64416.93 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 16788.04 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 31768.74 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 22908.68 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 14554.59 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 24210.29 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 31695.67 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 20276.83 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 27289.78 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 12531.41 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 36559.48 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 30974.19 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 11376.27 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 11776.06 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 14190.58 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 11587.77 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 41209.75 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 25409.73 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 12647.36 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 15310.87 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 14125.38 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 38636.7 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 21527.82 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 16788.04 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 32583.67 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 20464.45 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 40364.54 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 25118.86 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 14092.89 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 22233.1 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 15100.8 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 33651.16 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 30619.63 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 53333.49 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 22284.35 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 57147.86 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 15812.48 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 13899.53 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 22130.95 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 31622.78 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 10115.79 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 17660.38 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 23280.91 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 43251.38 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 8053.78 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 21978.6 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 91411.32 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 7780.37 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 26061.54 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 35318.32 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 45185.59 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 15488.17 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 63241.19 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 29376.5 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 67764.15 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 13835.66 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 45603.69 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 16292.96 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 86896.04 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 28444.61 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 15275.66 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 11040.79 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 24945.95 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 19678.86 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 51760.68 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 12912.19 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 5997.91 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 13396.77 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 34673.69 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 16143.59 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 89330.55 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 17338.04 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 58748.94 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 21577.44 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 15066.07 nM PubChem BioAssay data set

  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 NPC299808 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 NPC110875
1.0 High Similarity NPC72183
1.0 High Similarity NPC118844
0.9043 High Similarity NPC473289
0.8144 Intermediate Similarity NPC270813
0.7921 Intermediate Similarity NPC75523
0.7921 Intermediate Similarity NPC44514
0.7843 Intermediate Similarity NPC93179
0.6916 Remote Similarity NPC133420
0.6837 Remote Similarity NPC469860
0.6837 Remote Similarity NPC469861
0.6837 Remote Similarity NPC130436
0.6807 Remote Similarity NPC477987
0.6807 Remote Similarity NPC329401
0.6667 Remote Similarity NPC241426
0.6637 Remote Similarity NPC43648
0.663 Remote Similarity NPC470994
0.6606 Remote Similarity NPC469604
0.6585 Remote Similarity NPC477988
0.6514 Remote Similarity NPC173690
0.6514 Remote Similarity NPC80439
0.6514 Remote Similarity NPC279833
0.6514 Remote Similarity NPC6271
0.6455 Remote Similarity NPC477000
0.6455 Remote Similarity NPC64168
0.6455 Remote Similarity NPC477001
0.6435 Remote Similarity NPC130124
0.6435 Remote Similarity NPC193471
0.641 Remote Similarity NPC469997
0.641 Remote Similarity NPC65045
0.6404 Remote Similarity NPC168758
0.6404 Remote Similarity NPC181510
0.6404 Remote Similarity NPC47857
0.6316 Remote Similarity NPC469603
0.6303 Remote Similarity NPC477986
0.6303 Remote Similarity NPC138534
0.6273 Remote Similarity NPC474244
0.6261 Remote Similarity NPC316984
0.6261 Remote Similarity NPC30911
0.625 Remote Similarity NPC230849
0.6239 Remote Similarity NPC474984
0.6218 Remote Similarity NPC201889
0.6218 Remote Similarity NPC284656
0.6218 Remote Similarity NPC106791
0.6218 Remote Similarity NPC174463
0.6207 Remote Similarity NPC474995
0.6204 Remote Similarity NPC52820
0.6198 Remote Similarity NPC470000
0.616 Remote Similarity NPC478136
0.6121 Remote Similarity NPC58281
0.6098 Remote Similarity NPC111162
0.6098 Remote Similarity NPC293550
0.6098 Remote Similarity NPC323168
0.6098 Remote Similarity NPC477990
0.6098 Remote Similarity NPC477989
0.6066 Remote Similarity NPC23963
0.6053 Remote Similarity NPC271562
0.6048 Remote Similarity NPC469999
0.6048 Remote Similarity NPC26285
0.6038 Remote Similarity NPC145707
0.6022 Remote Similarity NPC232812
0.6 Remote Similarity NPC471636
0.6 Remote Similarity NPC287572
0.6 Remote Similarity NPC474099
0.5984 Remote Similarity NPC11379
0.5965 Remote Similarity NPC86906
0.596 Remote Similarity NPC471768
0.5957 Remote Similarity NPC64234
0.5957 Remote Similarity NPC37929
0.5952 Remote Similarity NPC96010
0.5952 Remote Similarity NPC317654
0.595 Remote Similarity NPC235625
0.5946 Remote Similarity NPC26597
0.5934 Remote Similarity NPC182794
0.5929 Remote Similarity NPC199831
0.5929 Remote Similarity NPC474828
0.5929 Remote Similarity NPC474827
0.5929 Remote Similarity NPC68001
0.5922 Remote Similarity NPC76283
0.592 Remote Similarity NPC471087
0.592 Remote Similarity NPC326386
0.592 Remote Similarity NPC477985
0.5918 Remote Similarity NPC54996
0.5917 Remote Similarity NPC288629
0.5917 Remote Similarity NPC304646
0.5917 Remote Similarity NPC28280
0.5909 Remote Similarity NPC476344
0.5909 Remote Similarity NPC4834
0.5906 Remote Similarity NPC173173
0.59 Remote Similarity NPC268827
0.5897 Remote Similarity NPC63511
0.5897 Remote Similarity NPC113012
0.5897 Remote Similarity NPC122926
0.5893 Remote Similarity NPC314792
0.5891 Remote Similarity NPC120335
0.5882 Remote Similarity NPC475988
0.5872 Remote Similarity NPC150041
0.587 Remote Similarity NPC191233
0.5851 Remote Similarity NPC265574
0.5826 Remote Similarity NPC472433
0.5826 Remote Similarity NPC101106
0.5826 Remote Similarity NPC135216
0.5825 Remote Similarity NPC475975
0.582 Remote Similarity NPC471673
0.5818 Remote Similarity NPC476449
0.5812 Remote Similarity NPC474891
0.5806 Remote Similarity NPC21998
0.5804 Remote Similarity NPC474985
0.5798 Remote Similarity NPC269340
0.5798 Remote Similarity NPC474452
0.5781 Remote Similarity NPC471086
0.5776 Remote Similarity NPC250187
0.5769 Remote Similarity NPC296589
0.5763 Remote Similarity NPC472313
0.5761 Remote Similarity NPC220766
0.5752 Remote Similarity NPC144714
0.5752 Remote Similarity NPC188785
0.5752 Remote Similarity NPC100810
0.5745 Remote Similarity NPC276290
0.5743 Remote Similarity NPC476560
0.573 Remote Similarity NPC133600
0.5726 Remote Similarity NPC476034
0.5726 Remote Similarity NPC474969
0.5714 Remote Similarity NPC29501
0.5714 Remote Similarity NPC474459
0.5714 Remote Similarity NPC79238
0.5703 Remote Similarity NPC476951
0.5699 Remote Similarity NPC116013
0.5694 Remote Similarity NPC475342
0.5692 Remote Similarity NPC215507
0.5688 Remote Similarity NPC1108
0.5684 Remote Similarity NPC470693
0.5676 Remote Similarity NPC175614
0.5676 Remote Similarity NPC474129
0.567 Remote Similarity NPC252503
0.567 Remote Similarity NPC222244
0.567 Remote Similarity NPC16349
0.5667 Remote Similarity NPC295444
0.5667 Remote Similarity NPC279383
0.5667 Remote Similarity NPC314550
0.5667 Remote Similarity NPC273215
0.5667 Remote Similarity NPC429928
0.5667 Remote Similarity NPC268327
0.5662 Remote Similarity NPC281104
0.5656 Remote Similarity NPC477554
0.5648 Remote Similarity NPC47230
0.5648 Remote Similarity NPC159568
0.5648 Remote Similarity NPC17143
0.5638 Remote Similarity NPC472266
0.5636 Remote Similarity NPC313265
0.563 Remote Similarity NPC127578
0.5625 Remote Similarity NPC316029
0.5625 Remote Similarity NPC91036
0.5615 Remote Similarity NPC470539
0.5614 Remote Similarity NPC474873
0.561 Remote Similarity NPC477553
0.5603 Remote Similarity NPC205176
0.56 Remote Similarity NPC473825
0.56 Remote Similarity NPC187568
0.56 Remote Similarity NPC41780

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC299808 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
0.6261 Remote Similarity NPD2204 Approved
0.6222 Remote Similarity NPD616 Clinical (unspecified phase)
0.6121 Remote Similarity NPD2201 Approved
0.6111 Remote Similarity NPD5349 Clinical (unspecified phase)
0.5826 Remote Similarity NPD4211 Phase 1
0.5798 Remote Similarity NPD4573 Approved
0.5798 Remote Similarity NPD4572 Approved
0.5798 Remote Similarity NPD4571 Approved
0.5776 Remote Similarity NPD812 Approved
0.5776 Remote Similarity NPD810 Approved
0.5776 Remote Similarity NPD811 Approved
0.5763 Remote Similarity NPD5239 Approved
0.5763 Remote Similarity NPD5237 Approved
0.5763 Remote Similarity NPD5236 Approved
0.5763 Remote Similarity NPD5235 Approved
0.5763 Remote Similarity NPD5240 Approved
0.5662 Remote Similarity NPD2569 Approved
0.5662 Remote Similarity NPD2567 Approved
0.5625 Remote Similarity NPD8451 Approved

Structure

External Identifiers

PubChem CID   267769
ChEMBL   CHEMBL1965517
ZINC  

Physicochemical Properties

Molecular Weight:  217.11
ALogP:  -0.4271
MLogP:  2.56
XLogP:  1.018
# Rotatable Bonds:  0
Polar Surface Area:  29.54
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  16

Download Data

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