Natural Product: NPC473299

Natural Product ID:  NPC473299
Common Name:   12,16-Dihydroxy-24-Methylscalaran-25,24-Olide
IUPAC Name:   (3aS,4S,5aS,5bR,7aS,11aS,11bR,13R,13aS,13bS)-4,13-dihydroxy-3,5b,8,8,11a,13a-hexamethyl-3a,4,5,5a,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydro-3H-phenanthro[1,2-g][2]benzofuran-1-one
Synonyms:  
Molecular Formula:   C26H42O4
Standard InCHIKey:  BOVSVCDCMFPWKD-MCOKXNSZSA-N
Standard InCHI:  InChI=1S/C26H42O4/c1-14-20-15(27)12-18-25(5)11-8-16-23(2,3)9-7-10-24(16,4)17(25)13-19(28)26(18,6)21(20)22(29)30-14/h14-21,27-28H,7-13H2,1-6H3/t14?,15-,16-,17+,18-,19+,20+,21+,24-,25+,26+/m0/s1
Canonical SMILES:  O=C1OC([C@H]2[C@H]1[C@@]1(C)[C@H](O)C[C@H]3[C@@]([C@@H]1C[C@@H]2O)(C)CC[C@@H]1[C@]3(C)CCCC1(C)C)C
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
NPO33257 lendenfeldia sp. Species Thorectidae Eukaryota Indonesia PMID[17958396]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT392 Cell Line SNB-75 Homo sapiens LC50 = 100000 nM 16413779
NPT392 Cell Line SNB-75 Homo sapiens TGI = 47863.01 nM 16413779
NPT392 Cell Line SNB-75 Homo sapiens GI50 = 19952.62 nM 11809072
NPT399 Cell Line SF-295 Homo sapiens GI50 = 19498.45 nM 10.1016/S0960-894X(01)80881-7
NPT399 Cell Line SF-295 Homo sapiens TGI = 50118.72 nM 10.1016/S0960-894X(01)80881-7
NPT398 Cell Line UACC-62 Homo sapiens LC50 = 97723.72 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens TGI = 43651.58 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 = 20892.96 nM 19467877
NPT397 Cell Line NCI-H460 Homo sapiens TGI = 42657.95 nM 19467877
NPT397 Cell Line NCI-H460 Homo sapiens LC50 = 89125.09 nM 19467877
NPT170 Cell Line SK-MEL-28 Homo sapiens LC50 = 66069.34 nM 15974602
NPT374 Cell Line SF-539 Homo sapiens LC50 = 67608.3 nM 12193011
NPT146 Cell Line SK-OV-3 Homo sapiens LC50 = 100000 nM 17958396
NPT148 Cell Line HCT-15 Homo sapiens LC50 = 60255.96 nM 26287401
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 4900 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens IC50 = 4700 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 5400 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 = 34673.69 nM 22647719
NPT83 Cell Line MCF7 Homo sapiens LC50 = 100000 nM 22647719
NPT83 Cell Line MCF7 Homo sapiens TGI = 100000 nM 22647719
NPT368 Cell Line SN12C Homo sapiens LC50 = 100000 nM 21314138
NPT456 Cell Line OVCAR-4 Homo sapiens TGI = 60255.96 nM 11495582
NPT456 Cell Line OVCAR-4 Homo sapiens LC50 = 100000 nM 11495582
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 = 20892.96 nM 11495582
NPT390 Cell Line LOX IMVI Homo sapiens LC50 = 56234.13 nM 18710813
NPT390 Cell Line LOX IMVI Homo sapiens TGI = 30902.95 nM 18710813
NPT390 Cell Line LOX IMVI Homo sapiens GI50 = 17378.01 nM 18710813
NPT455 Cell Line NCI-H522 Homo sapiens TGI = 38904.51 nM DrugMatrix in vitro pharmacology data
NPT455 Cell Line NCI-H522 Homo sapiens GI50 = 19498.45 nM DrugMatrix in vitro pharmacology data
NPT389 Cell Line RPMI-8226 Homo sapiens LC50 = 100000 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 = 16218.1 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 3500 nM PubChem BioAssay data set
NPT2 Others Unspecified GI50 = 19054.61 nM 17958396
NPT82 Cell Line MDA-MB-231 Homo sapiens LC50 = 87096.36 nM 17958396
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 = 19054.61 nM 17958396
NPT82 Cell Line MDA-MB-231 Homo sapiens TGI = 40738.03 nM 17958396
NPT383 Cell Line SNB-19 Homo sapiens LC50 = 16982.44 nM 23376010
NPT383 Cell Line SNB-19 Homo sapiens GI50 = 81283.05 nM 23376010
NPT399 Cell Line SF-295 Homo sapiens LC50 = 100000 nM DrugMatrix in vitro pharmacology data
NPT374 Cell Line SF-539 Homo sapiens GI50 = 19054.61 nM DrugMatrix in vitro pharmacology data
NPT373 Cell Line SK-MEL-5 Homo sapiens TGI = 26302.68 nM 12027740
NPT388 Cell Line NCI-H322M Homo sapiens LC50 = 100000 nM 16562839
NPT388 Cell Line NCI-H322M Homo sapiens TGI = 93325.43 nM 15104486
NPT388 Cell Line NCI-H322M Homo sapiens GI50 = 31622.78 nM 15104486
NPT405 Cell Line NCI-H226 Homo sapiens LC50 = 87096.36 nM 10543894
NPT370 Cell Line NCI-H23 Homo sapiens GI50 = 20417.38 nM 10425121
NPT369 Cell Line ACHN Homo sapiens GI50 = 18197.01 nM 9784152
NPT369 Cell Line ACHN Homo sapiens TGI = 31622.78 nM 9784152
NPT139 Cell Line HT-29 Homo sapiens GI50 = 17378.01 nM 24175613
NPT139 Cell Line HT-29 Homo sapiens TGI = 38018.94 nM 24175613
NPT374 Cell Line SF-539 Homo sapiens TGI = 36307.81 nM 21084196
NPT396 Cell Line T47D Homo sapiens IC50 = 5300 nM 10924160
NPT396 Cell Line T47D Homo sapiens IC50 = 6700 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 2400 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens LC50 = 100000 nM 16499322
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 = 18620.87 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens LC50 = 75857.76 nM 24673739
NPT382 Cell Line OVCAR-5 Homo sapiens TGI = 39810.72 nM 24673739
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 = 20892.96 nM 24673739
NPT385 Cell Line SR Homo sapiens TGI = 35481.34 nM 19433363
NPT385 Cell Line SR Homo sapiens GI50 = 8511.38 nM 25152999
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 = 13489.63 nM 10.6019/CHEMBL1201861
NPT373 Cell Line SK-MEL-5 Homo sapiens LC50 = 52480.75 nM 10.6019/CHEMBL1201861
NPT2 Others Unspecified LC50 = 100000 nM 15165134
NPT2 Others Unspecified TGI = 53703.18 nM 12502317
NPT457 Cell Line BT-549 Homo sapiens LC50 = 64565.42 nM 20005020
NPT306 Cell Line PC-3 Homo sapiens GI50 = 16982.44 nM 18955526
NPT306 Cell Line PC-3 Homo sapiens TGI = 54954.09 nM 18955526
NPT306 Cell Line PC-3 Homo sapiens LC50 = 100000 nM 18955526
NPT403 Cell Line UACC-257 Homo sapiens LC50 = 100000 nM 18458127
NPT379 Cell Line HOP-62 Homo sapiens LC50 = 54954.09 nM 20713660
NPT379 Cell Line HOP-62 Homo sapiens TGI = 28840.32 nM 20713660
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 = 38904.51 nM DrugMatrix in vitro pharmacology data
NPT396 Cell Line T47D Homo sapiens GI50 = 24547.09 nM 22071302
NPT396 Cell Line T47D Homo sapiens TGI = 63095.73 nM 22071302
NPT376 Cell Line A498 Homo sapiens LC50 = 72443.6 nM 10.1007/s00044-012-0154-3
NPT376 Cell Line A498 Homo sapiens GI50 = 18620.87 nM 10.1007/s00044-012-0089-8
NPT386 Cell Line KM12 Homo sapiens TGI = 69183.1 nM 11170659
NPT386 Cell Line KM12 Homo sapiens GI50 = 25118.86 nM 16441077
NPT386 Cell Line KM12 Homo sapiens LC50 = 100000 nM 18412396
NPT403 Cell Line UACC-257 Homo sapiens TGI = 83176.38 nM 21419633
NPT81 Cell Line A549 Homo sapiens LC50 = 89125.09 nM 16417306
NPT81 Cell Line A549 Homo sapiens TGI = 37153.52 nM 16417306
NPT81 Cell Line A549 Homo sapiens GI50 = 15848.93 nM 16417306
NPT458 Cell Line IGROV-1 Homo sapiens GI50 = 30902.95 nM 25495797
NPT458 Cell Line IGROV-1 Homo sapiens TGI = 81283.05 nM 25495797
NPT458 Cell Line IGROV-1 Homo sapiens LC50 = 100000 nM 25495797
NPT111 Cell Line K562 Homo sapiens GI50 = 29512.09 nM 10.6019/CHEMBL1201861
NPT111 Cell Line K562 Homo sapiens TGI = 54954.09 nM 10.6019/CHEMBL1201861
NPT111 Cell Line K562 Homo sapiens LC50 = 100000 nM 10.6019/CHEMBL1201861
NPT391 Cell Line HCC 2998 Homo sapiens LC50 = 56234.13 nM 8289059
NPT391 Cell Line HCC 2998 Homo sapiens GI50 = 15488.17 nM 8289059
NPT391 Cell Line HCC 2998 Homo sapiens TGI = 29512.09 nM 8289059
NPT369 Cell Line ACHN Homo sapiens LC50 = 56234.13 nM 8389875
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 = 19054.61 nM 15189040
NPT400 Cell Line MDA-MB-435 Homo sapiens TGI = 51286.14 nM 15189040
NPT400 Cell Line MDA-MB-435 Homo sapiens LC50 = 100000 nM 15189040
NPT387 Cell Line M14 Homo sapiens LC50 = 69183.1 nM 23182091
NPT387 Cell Line M14 Homo sapiens GI50 = 19054.61 nM 23182091
NPT387 Cell Line M14 Homo sapiens TGI = 36307.81 nM 23182091
NPT116 Cell Line HL-60 Homo sapiens LC50 = 100000 nM Open TG-GATES in vivo data: Biochemistry
NPT116 Cell Line HL-60 Homo sapiens TGI = 36307.81 nM Open TG-GATES in vivo data: Biochemistry
NPT116 Cell Line HL-60 Homo sapiens GI50 = 11748.98 nM Open TG-GATES in vivo data: Biochemistry
NPT371 Cell Line UO-31 Homo sapiens GI50 = 20417.38 nM DrugMatrix in vivo data: Biochemistry
NPT371 Cell Line UO-31 Homo sapiens LC50 = 75857.76 nM DrugMatrix in vivo data: Biochemistry
NPT371 Cell Line UO-31 Homo sapiens TGI = 39810.72 nM DrugMatrix in vivo data: Biochemistry
NPT372 Cell Line HOP-92 Homo sapiens LC50 = 93325.43 nM 9463110
NPT394 Cell Line EKVX Homo sapiens TGI = 45708.82 nM 19035792
NPT394 Cell Line EKVX Homo sapiens GI50 = 23442.29 nM 19035792
NPT396 Cell Line T47D Homo sapiens LC50 = 100000 nM 23398362
NPT112 Cell Line MOLT-4 Homo sapiens LC50 = 100000 nM 23398362
NPT455 Cell Line NCI-H522 Homo sapiens LC50 = 77624.71 nM 23398362
NPT383 Cell Line SNB-19 Homo sapiens TGI = 37153.52 nM 15497941
NPT368 Cell Line SN12C Homo sapiens GI50 = 17378.01 nM 9873651
NPT368 Cell Line SN12C Homo sapiens TGI = 46773.51 nM 12398531
NPT406 Cell Line RXF 393 Homo sapiens LC50 = 58884.37 nM 12398531
NPT323 Cell Line SW-620 Homo sapiens GI50 = 12022.64 nM 17291045
NPT323 Cell Line SW-620 Homo sapiens TGI = 25118.86 nM 17291045
NPT323 Cell Line SW-620 Homo sapiens LC50 = 52480.75 nM 17489632
NPT139 Cell Line HT-29 Homo sapiens LC50 = 83176.38 nM 21856162
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 = 11481.54 nM 16908136
NPT377 Cell Line OVCAR-3 Homo sapiens LC50 = 60255.96 nM 17263523
NPT377 Cell Line OVCAR-3 Homo sapiens TGI = 26302.68 nM 17263523
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 = 19952.62 nM 18550377
NPT170 Cell Line SK-MEL-28 Homo sapiens TGI = 36307.81 nM 18550377
NPT370 Cell Line NCI-H23 Homo sapiens TGI = 37153.52 nM 21644541
NPT370 Cell Line NCI-H23 Homo sapiens LC50 = 67608.3 nM 21644541
NPT112 Cell Line MOLT-4 Homo sapiens TGI = 20892.96 nM 23167812
NPT112 Cell Line MOLT-4 Homo sapiens GI50 = 4786.3 nM 23167812
NPT112 Cell Line MOLT-4 Homo sapiens LC50 = 100000 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens LC50 = 89125.09 nM 24906512
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 = 25118.86 nM 22439674
NPT381 Cell Line OVCAR-8 Homo sapiens TGI = 63095.73 nM 22050318
NPT376 Cell Line A498 Homo sapiens TGI = 37153.52 nM 25835647
NPT393 Cell Line HCT-116 Homo sapiens LC50 = 47863.01 nM 10.1039/C2MD20076G
NPT393 Cell Line HCT-116 Homo sapiens TGI = 23442.29 nM 10.1039/C2MD20076G
NPT393 Cell Line HCT-116 Homo sapiens GI50 = 11220.18 nM 10.1039/C2MD20076G
NPT457 Cell Line BT-549 Homo sapiens GI50 = 16982.44 nM 20584605
NPT375 Cell Line Malme-3M Homo sapiens LC50 = 91201.08 nM 25945867
NPT308 Cell Line CAKI-1 Homo sapiens LC50 = 100000 nM 16933872
NPT308 Cell Line CAKI-1 Homo sapiens TGI = 56234.13 nM 16933872
NPT308 Cell Line CAKI-1 Homo sapiens GI50 = 30902.95 nM 16933872
NPT457 Cell Line BT-549 Homo sapiens TGI = 33113.11 nM 17353252
NPT405 Cell Line NCI-H226 Homo sapiens GI50 = 19952.62 nM 15620246
NPT405 Cell Line NCI-H226 Homo sapiens TGI = 41686.94 nM 15620246
NPT406 Cell Line RXF 393 Homo sapiens TGI = 29512.09 nM 11312930
NPT406 Cell Line RXF 393 Homo sapiens GI50 = 14791.08 nM 11312930
NPT380 Cell Line U-251 Homo sapiens TGI = 32359.37 nM 12662097
NPT380 Cell Line U-251 Homo sapiens LC50 = 61659.5 nM 12662097
NPT380 Cell Line U-251 Homo sapiens GI50 = 16982.44 nM 12662097
NPT146 Cell Line SK-OV-3 Homo sapiens TGI = 100000 nM DrugMatrix in vitro pharmacology data
NPT395 Cell Line SF-268 Homo sapiens LC50 = 100000 nM 10.6019/CHEMBL3301361
NPT395 Cell Line SF-268 Homo sapiens TGI = 48977.88 nM 25740159
NPT395 Cell Line SF-268 Homo sapiens GI50 = 22387.21 nM 25740159
NPT378 Cell Line NCI/ADR-RES Homo sapiens LC50 = 83176.38 nM 8881811
NPT378 Cell Line NCI/ADR-RES Homo sapiens TGI = 39810.72 nM The Pharmaceutical Basis of Therapeutics, Goodman and Gilman Ed. 12
NPT389 Cell Line RPMI-8226 Homo sapiens TGI = 51286.14 nM 2453615
NPT398 Cell Line UACC-62 Homo sapiens GI50 = 19498.45 nM 7996553
NPT147 Cell Line SK-MEL-2 Homo sapiens TGI = 51286.14 nM 16038541
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 = 25118.86 nM 16038541
NPT147 Cell Line SK-MEL-2 Homo sapiens LC50 = 100000 nM 16038541
NPT401 Cell Line 786-0 Homo sapiens GI50 = 15848.93 nM 19654408
NPT401 Cell Line 786-0 Homo sapiens TGI = 30199.52 nM 19654408
NPT401 Cell Line 786-0 Homo sapiens LC50 = 56234.13 nM 18849971
NPT381 Cell Line OVCAR-8 Homo sapiens LC50 = 100000 nM 22037378
NPT148 Cell Line HCT-15 Homo sapiens GI50 = 16218.1 nM 25087753
NPT148 Cell Line HCT-15 Homo sapiens TGI = 31622.78 nM 25087753
NPT90 Cell Line DU-145 Homo sapiens TGI = 34673.69 nM 22464133
NPT90 Cell Line DU-145 Homo sapiens LC50 = 72443.6 nM 22464133
NPT90 Cell Line DU-145 Homo sapiens GI50 = 16982.44 nM 19193025
NPT379 Cell Line HOP-62 Homo sapiens GI50 = 15135.61 nM 3346869
NPT375 Cell Line Malme-3M Homo sapiens GI50 = 26915.35 nM 9873632
NPT375 Cell Line Malme-3M Homo sapiens TGI = 50118.72 nM 9873632
NPT407 Cell Line COLO 205 Homo sapiens LC50 = 66069.34 nM 22541068
NPT407 Cell Line COLO 205 Homo sapiens GI50 = 15848.93 nM 22541068
NPT407 Cell Line COLO 205 Homo sapiens TGI = 32359.37 nM 22280816
NPT403 Cell Line UACC-257 Homo sapiens GI50 = 28183.83 nM 25136754
NPT372 Cell Line HOP-92 Homo sapiens TGI = 39810.72 nM 22584254
NPT372 Cell Line HOP-92 Homo sapiens GI50 = 16982.44 nM 25815159
NPT384 Cell Line TK-10 Homo sapiens GI50 = 30199.52 nM 27128177
NPT384 Cell Line TK-10 Homo sapiens TGI = 79432.82 nM 27128177
NPT384 Cell Line TK-10 Homo sapiens LC50 = 100000 nM 27128177

  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 NPC473299 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
0.9167 High Similarity NPC471459
0.9167 High Similarity NPC67653
0.8889 High Similarity NPC475743
0.8889 High Similarity NPC280781
0.8889 High Similarity NPC48756
0.8837 High Similarity NPC470114
0.8837 High Similarity NPC18536
0.8837 High Similarity NPC50443
0.881 High Similarity NPC83242
0.8795 High Similarity NPC219535
0.8795 High Similarity NPC237938
0.878 High Similarity NPC208912
0.878 High Similarity NPC2096
0.8764 High Similarity NPC235109
0.875 High Similarity NPC472608
0.8736 High Similarity NPC475878
0.869 High Similarity NPC477445
0.869 High Similarity NPC62572
0.8675 High Similarity NPC474253
0.8675 High Similarity NPC15091
0.8675 High Similarity NPC213737
0.8675 High Similarity NPC474346
0.8675 High Similarity NPC475820
0.8675 High Similarity NPC474284
0.8667 High Similarity NPC472145
0.8659 High Similarity NPC474870
0.8659 High Similarity NPC271572
0.8652 High Similarity NPC82633
0.8642 High Similarity NPC80891
0.8642 High Similarity NPC201276
0.8625 High Similarity NPC307865
0.8621 High Similarity NPC88337
0.8621 High Similarity NPC185529
0.8621 High Similarity NPC472146
0.8621 High Similarity NPC475211
0.8605 High Similarity NPC471221
0.8605 High Similarity NPC131104
0.8605 High Similarity NPC3032
0.8605 High Similarity NPC473319
0.8571 High Similarity NPC34984
0.8571 High Similarity NPC471044
0.8571 High Similarity NPC25037
0.8571 High Similarity NPC473336
0.8571 High Similarity NPC472144
0.8571 High Similarity NPC477434
0.8556 High Similarity NPC163685
0.8554 High Similarity NPC289486
0.8554 High Similarity NPC61107
0.8537 High Similarity NPC261616
0.8519 High Similarity NPC324700
0.8519 High Similarity NPC224802
0.8519 High Similarity NPC34046
0.8519 High Similarity NPC80089
0.8519 High Similarity NPC171426
0.8519 High Similarity NPC243594
0.8519 High Similarity NPC31031
0.8481 Intermediate Similarity NPC55508
0.8434 Intermediate Similarity NPC73515
0.8434 Intermediate Similarity NPC58631
0.8434 Intermediate Similarity NPC476071
0.8427 Intermediate Similarity NPC476189
0.8415 Intermediate Similarity NPC73013
0.8409 Intermediate Similarity NPC77756
0.8395 Intermediate Similarity NPC143133
0.8395 Intermediate Similarity NPC317913
0.8395 Intermediate Similarity NPC207010
0.8395 Intermediate Similarity NPC298168
0.8391 Intermediate Similarity NPC236459
0.8391 Intermediate Similarity NPC476379
0.8372 Intermediate Similarity NPC248216
0.8352 Intermediate Similarity NPC116683
0.8352 Intermediate Similarity NPC475765
0.8352 Intermediate Similarity NPC475785
0.8333 Intermediate Similarity NPC121121
0.8313 Intermediate Similarity NPC125366
0.8295 Intermediate Similarity NPC477443
0.8295 Intermediate Similarity NPC477440
0.8276 Intermediate Similarity NPC470920
0.8272 Intermediate Similarity NPC4209
0.8256 Intermediate Similarity NPC131350
0.8242 Intermediate Similarity NPC62407
0.8242 Intermediate Similarity NPC287354
0.8214 Intermediate Similarity NPC50658
0.8202 Intermediate Similarity NPC477444
0.8202 Intermediate Similarity NPC477442
0.8202 Intermediate Similarity NPC477433
0.8193 Intermediate Similarity NPC220379
0.8182 Intermediate Similarity NPC476435
0.8171 Intermediate Similarity NPC143250
0.8148 Intermediate Similarity NPC212733
0.814 Intermediate Similarity NPC181871
0.814 Intermediate Similarity NPC9060
0.814 Intermediate Similarity NPC65133
0.814 Intermediate Similarity NPC105895
0.8125 Intermediate Similarity NPC109510
0.8118 Intermediate Similarity NPC30583
0.8111 Intermediate Similarity NPC52756
0.8095 Intermediate Similarity NPC134227
0.8095 Intermediate Similarity NPC475456
0.8095 Intermediate Similarity NPC472943
0.8095 Intermediate Similarity NPC472951
0.809 Intermediate Similarity NPC200580
0.809 Intermediate Similarity NPC61688
0.8072 Intermediate Similarity NPC26029
0.8068 Intermediate Similarity NPC239938
0.8068 Intermediate Similarity NPC252714
0.8065 Intermediate Similarity NPC253586
0.8065 Intermediate Similarity NPC471241
0.8065 Intermediate Similarity NPC472273
0.8049 Intermediate Similarity NPC108840
0.8049 Intermediate Similarity NPC474020
0.8046 Intermediate Similarity NPC473350
0.8046 Intermediate Similarity NPC474572
0.8025 Intermediate Similarity NPC168511
0.8025 Intermediate Similarity NPC167702
0.8025 Intermediate Similarity NPC159325
0.8025 Intermediate Similarity NPC280026
0.8023 Intermediate Similarity NPC269684
0.8022 Intermediate Similarity NPC161035
0.8022 Intermediate Similarity NPC472148
0.8022 Intermediate Similarity NPC472147
0.7979 Intermediate Similarity NPC28864
0.7979 Intermediate Similarity NPC20479
0.7979 Intermediate Similarity NPC38296
0.7979 Intermediate Similarity NPC164349
0.7979 Intermediate Similarity NPC162459
0.7979 Intermediate Similarity NPC474724
0.7979 Intermediate Similarity NPC38471
0.7979 Intermediate Similarity NPC98837
0.7976 Intermediate Similarity NPC476176
0.7976 Intermediate Similarity NPC320144
0.7957 Intermediate Similarity NPC200054
0.7957 Intermediate Similarity NPC256227
0.7957 Intermediate Similarity NPC193785
0.7957 Intermediate Similarity NPC29410
0.7955 Intermediate Similarity NPC472272
0.7955 Intermediate Similarity NPC302111
0.7955 Intermediate Similarity NPC155531
0.7955 Intermediate Similarity NPC215968
0.7955 Intermediate Similarity NPC120395
0.7952 Intermediate Similarity NPC23884
0.7938 Intermediate Similarity NPC327093
0.7935 Intermediate Similarity NPC470424
0.7935 Intermediate Similarity NPC309127
0.7935 Intermediate Similarity NPC247877
0.7935 Intermediate Similarity NPC277399
0.7931 Intermediate Similarity NPC319909
0.7931 Intermediate Similarity NPC97505
0.7927 Intermediate Similarity NPC179858
0.7927 Intermediate Similarity NPC174964
0.7927 Intermediate Similarity NPC97534
0.7927 Intermediate Similarity NPC195155
0.7917 Intermediate Similarity NPC244969
0.7917 Intermediate Similarity NPC80640
0.7917 Intermediate Similarity NPC165250
0.7917 Intermediate Similarity NPC213528
0.7912 Intermediate Similarity NPC198054
0.7912 Intermediate Similarity NPC160506
0.7907 Intermediate Similarity NPC154043
0.7907 Intermediate Similarity NPC60018
0.7907 Intermediate Similarity NPC477447
0.7907 Intermediate Similarity NPC13494
0.7907 Intermediate Similarity NPC268040
0.7907 Intermediate Similarity NPC202688
0.7907 Intermediate Similarity NPC477446
0.7907 Intermediate Similarity NPC470155
0.7901 Intermediate Similarity NPC68426
0.7901 Intermediate Similarity NPC477229
0.7901 Intermediate Similarity NPC474755
0.7901 Intermediate Similarity NPC282905
0.7895 Intermediate Similarity NPC108371
0.7895 Intermediate Similarity NPC293866
0.7895 Intermediate Similarity NPC80417
0.7889 Intermediate Similarity NPC194642
0.7882 Intermediate Similarity NPC477851
0.7879 Intermediate Similarity NPC207693
0.7872 Intermediate Similarity NPC476879
0.7872 Intermediate Similarity NPC476878
0.7865 Intermediate Similarity NPC33768
0.7865 Intermediate Similarity NPC269360
0.7865 Intermediate Similarity NPC264005
0.7857 Intermediate Similarity NPC185465
0.7857 Intermediate Similarity NPC252483
0.7857 Intermediate Similarity NPC191345
0.7857 Intermediate Similarity NPC471045
0.7849 Intermediate Similarity NPC259042
0.7849 Intermediate Similarity NPC157686
0.7849 Intermediate Similarity NPC474727
0.7849 Intermediate Similarity NPC305808
0.7849 Intermediate Similarity NPC98639
0.7841 Intermediate Similarity NPC476715
0.7841 Intermediate Similarity NPC477205
0.7841 Intermediate Similarity NPC266651
0.7835 Intermediate Similarity NPC225238
0.7831 Intermediate Similarity NPC475742
0.7831 Intermediate Similarity NPC471046
0.7831 Intermediate Similarity NPC5767
0.7831 Intermediate Similarity NPC477933
0.7831 Intermediate Similarity NPC477932
0.7826 Intermediate Similarity NPC49776

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473299 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
0.8519 High Similarity NPD6115 Approved
0.8519 High Similarity NPD6697 Approved
0.8519 High Similarity NPD6118 Approved
0.8519 High Similarity NPD6114 Approved
0.8395 Intermediate Similarity NPD6116 Phase 1
0.8272 Intermediate Similarity NPD6117 Approved
0.8025 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7912 Intermediate Similarity NPD8034 Phase 2
0.7912 Intermediate Similarity NPD8035 Phase 2
0.7711 Intermediate Similarity NPD3703 Phase 2
0.764 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7561 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7561 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7531 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7531 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7349 Intermediate Similarity NPD5777 Approved
0.732 Intermediate Similarity NPD7902 Approved
0.7273 Intermediate Similarity NPD6928 Phase 2
0.7229 Intermediate Similarity NPD4245 Approved
0.7229 Intermediate Similarity NPD4244 Approved
0.7228 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD7748 Approved
0.716 Intermediate Similarity NPD4224 Phase 2
0.7158 Intermediate Similarity NPD7515 Phase 2
0.7143 Intermediate Similarity NPD6081 Approved
0.7115 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD3698 Phase 2
0.7093 Intermediate Similarity NPD3702 Approved
0.7071 Intermediate Similarity NPD7638 Approved
0.7024 Intermediate Similarity NPD4789 Approved
0.7019 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.701 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.701 Intermediate Similarity NPD7900 Approved
0.7 Intermediate Similarity NPD7640 Approved
0.7 Intermediate Similarity NPD7639 Approved
0.6988 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6988 Remote Similarity NPD5360 Phase 3
0.6972 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6907 Remote Similarity NPD6399 Phase 3
0.6905 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6863 Remote Similarity NPD7632 Discontinued
0.6854 Remote Similarity NPD3671 Phase 1
0.6852 Remote Similarity NPD8133 Approved
0.6832 Remote Similarity NPD8418 Phase 2
0.6829 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6792 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6765 Remote Similarity NPD1700 Approved
0.6735 Remote Similarity NPD8171 Discontinued
0.6729 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6727 Remote Similarity NPD6940 Discontinued
0.6667 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6402 Approved
0.6667 Remote Similarity NPD7128 Approved
0.6667 Remote Similarity NPD5739 Approved
0.6667 Remote Similarity NPD6675 Approved
0.6667 Remote Similarity NPD3669 Approved
0.6636 Remote Similarity NPD6372 Approved
0.6636 Remote Similarity NPD6373 Approved
0.663 Remote Similarity NPD1779 Approved
0.663 Remote Similarity NPD1780 Approved
0.6609 Remote Similarity NPD8328 Phase 3
0.6588 Remote Similarity NPD229 Approved
0.6552 Remote Similarity NPD4758 Discontinued
0.6542 Remote Similarity NPD6899 Approved
0.6542 Remote Similarity NPD7320 Approved
0.6542 Remote Similarity NPD6881 Approved
0.6514 Remote Similarity NPD6649 Approved
0.6514 Remote Similarity NPD6650 Approved
0.6509 Remote Similarity NPD6008 Approved
0.6484 Remote Similarity NPD5364 Discontinued
0.6458 Remote Similarity NPD3618 Phase 1
0.6449 Remote Similarity NPD5697 Approved
0.6449 Remote Similarity NPD5701 Approved
0.6449 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6449 Remote Similarity NPD6412 Phase 2
0.6422 Remote Similarity NPD6883 Approved
0.6422 Remote Similarity NPD7290 Approved
0.6422 Remote Similarity NPD7102 Approved
0.6413 Remote Similarity NPD7645 Phase 2
0.641 Remote Similarity NPD3729 Clinical (unspecified phase)
0.6389 Remote Similarity NPD6686 Approved
0.6387 Remote Similarity NPD7736 Approved
0.6364 Remote Similarity NPD6869 Approved
0.6364 Remote Similarity NPD6847 Approved
0.6364 Remote Similarity NPD6617 Approved
0.6364 Remote Similarity NPD8130 Phase 1
0.6356 Remote Similarity NPD7507 Approved
0.633 Remote Similarity NPD6012 Approved
0.633 Remote Similarity NPD6014 Approved
0.633 Remote Similarity NPD6013 Approved
0.6327 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6311 Remote Similarity NPD6083 Phase 2
0.6311 Remote Similarity NPD6084 Phase 2
0.6306 Remote Similarity NPD8297 Approved
0.6306 Remote Similarity NPD6882 Approved
0.6304 Remote Similarity NPD4238 Approved
0.6304 Remote Similarity NPD4802 Phase 2
0.6293 Remote Similarity NPD6921 Approved
0.6275 Remote Similarity NPD7991 Discontinued
0.6271 Remote Similarity NPD7492 Approved
0.6263 Remote Similarity NPD5328 Approved
0.625 Remote Similarity NPD4225 Approved
0.625 Remote Similarity NPD7532 Clinical (unspecified phase)
0.625 Remote Similarity NPD4632 Approved
0.625 Remote Similarity NPD4786 Approved
0.625 Remote Similarity NPD4787 Phase 1
0.6239 Remote Similarity NPD6011 Approved
0.6235 Remote Similarity NPD9496 Clinical (unspecified phase)
0.6228 Remote Similarity NPD7115 Discovery
0.622 Remote Similarity NPD3198 Approved
0.6218 Remote Similarity NPD6616 Approved
0.6216 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6211 Remote Similarity NPD3667 Approved
0.6207 Remote Similarity NPD6054 Approved
0.6207 Remote Similarity NPD6059 Approved
0.6207 Remote Similarity NPD6319 Approved
0.6198 Remote Similarity NPD7319 Approved
0.617 Remote Similarity NPD7525 Registered
0.6167 Remote Similarity NPD7078 Approved
0.6167 Remote Similarity NPD8293 Discontinued
0.6154 Remote Similarity NPD4755 Approved
0.6146 Remote Similarity NPD4788 Approved
0.6139 Remote Similarity NPD6079 Approved
0.6139 Remote Similarity NPD6411 Approved
0.6122 Remote Similarity NPD7521 Approved
0.6122 Remote Similarity NPD5330 Approved
0.6122 Remote Similarity NPD7334 Approved
0.6122 Remote Similarity NPD6409 Approved
0.6122 Remote Similarity NPD6684 Approved
0.6122 Remote Similarity NPD7146 Approved
0.6118 Remote Similarity NPD7909 Approved
0.6118 Remote Similarity NPD371 Approved
0.6117 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6102 Remote Similarity NPD6370 Approved
0.6095 Remote Similarity NPD5696 Approved
0.6087 Remote Similarity NPD6009 Approved
0.6078 Remote Similarity NPD4202 Approved
0.6058 Remote Similarity NPD4697 Phase 3
0.6055 Remote Similarity NPD6920 Discontinued
0.605 Remote Similarity NPD7604 Phase 2
0.6044 Remote Similarity NPD1810 Approved
0.6044 Remote Similarity NPD1811 Approved
0.6038 Remote Similarity NPD5285 Approved
0.6038 Remote Similarity NPD4700 Approved
0.6038 Remote Similarity NPD4696 Approved
0.6038 Remote Similarity NPD5286 Approved
0.6034 Remote Similarity NPD7327 Approved
0.6034 Remote Similarity NPD7328 Approved
0.6017 Remote Similarity NPD6016 Approved
0.6017 Remote Similarity NPD5983 Phase 2
0.6017 Remote Similarity NPD6015 Approved
0.6 Remote Similarity NPD5737 Approved
0.6 Remote Similarity NPD6274 Approved
0.6 Remote Similarity NPD6672 Approved
0.6 Remote Similarity NPD6903 Approved
0.6 Remote Similarity NPD615 Clinical (unspecified phase)
0.5983 Remote Similarity NPD7101 Approved
0.5983 Remote Similarity NPD7100 Approved
0.5983 Remote Similarity NPD7516 Approved
0.5966 Remote Similarity NPD5988 Approved
0.5965 Remote Similarity NPD8298 Phase 2
0.5962 Remote Similarity NPD5695 Phase 3
0.595 Remote Similarity NPD6336 Discontinued
0.5941 Remote Similarity NPD6101 Approved
0.5941 Remote Similarity NPD7285 Clinical (unspecified phase)
0.5941 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5932 Remote Similarity NPD8377 Approved
0.5932 Remote Similarity NPD8294 Approved
0.5926 Remote Similarity NPD5226 Approved
0.5926 Remote Similarity NPD5224 Approved
0.5926 Remote Similarity NPD5225 Approved
0.5926 Remote Similarity NPD5211 Phase 2
0.5926 Remote Similarity NPD4633 Approved
0.5922 Remote Similarity NPD5778 Approved
0.5922 Remote Similarity NPD5779 Approved
0.5918 Remote Similarity NPD3665 Phase 1
0.5918 Remote Similarity NPD3666 Approved
0.5918 Remote Similarity NPD3133 Approved
0.5917 Remote Similarity NPD6067 Discontinued
0.5905 Remote Similarity NPD5221 Approved
0.5905 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5905 Remote Similarity NPD5222 Approved
0.59 Remote Similarity NPD3573 Approved
0.5897 Remote Similarity NPD6335 Approved
0.5882 Remote Similarity NPD8379 Approved
0.5882 Remote Similarity NPD8378 Approved
0.5882 Remote Similarity NPD6291 Clinical (unspecified phase)
0.5882 Remote Similarity NPD8296 Approved
0.5882 Remote Similarity NPD6909 Approved
0.5882 Remote Similarity NPD8335 Approved
0.5882 Remote Similarity NPD6908 Approved
0.5882 Remote Similarity NPD8380 Approved
0.5882 Remote Similarity NPD8033 Approved
0.5872 Remote Similarity NPD5175 Approved
0.5872 Remote Similarity NPD5174 Approved
0.5862 Remote Similarity NPD6868 Approved
0.5859 Remote Similarity NPD1694 Approved
0.5849 Remote Similarity NPD5173 Approved
0.5841 Remote Similarity NPD4634 Approved
0.5833 Remote Similarity NPD5223 Approved

Structure

External Identifiers

PubChem CID   44445343
ChEMBL   CHEMBL398831
ZINC  

Physicochemical Properties

Molecular Weight:  418.31
ALogP:  0.4417
MLogP:  3.88
XLogP:  7.115
# Rotatable Bonds:  8
Polar Surface Area:  66.76
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  30

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