Natural Product: NPC473319

Natural Product ID:  NPC473319
Common Name:   Scalarherbacin A
IUPAC Name:   [(1S,2S,3R,4aS,4bR,6aS,10aS,10bR,12S,12aS)-2-acetyl-1-formyl-12-hydroxy-4b,7,7,10a,12a-pentamethyl-1,2,3,4,4a,5,6,6a,8,9,10,10b,11,12-tetradecahydrochrysen-3-yl] acetate
Synonyms:  
Molecular Formula:   C28H44O5
Standard InCHIKey:  CITMISFQWNZYKB-KOWBMCPZSA-N
Standard InCHI:  InChI=1S/C28H44O5/c1-16(30)24-18(15-29)28(7)22(13-19(24)33-17(2)31)27(6)12-9-20-25(3,4)10-8-11-26(20,5)21(27)14-23(28)32/h15,18-24,32H,8-14H2,1-7H3/t18-,19+,20-,21+,22-,23-,24-,26-,27+,28+/m0/s1
Canonical SMILES:  O=C[C@H]1[C@H](C(=O)C)[C@H](OC(=O)C)C[C@@H]2[C@]1(C)[C@@H](O)C[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CCCC2(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
NPT399 Cell Line SF-295 Homo sapiens GI50 = 1445.44 nM 11277769
NPT399 Cell Line SF-295 Homo sapiens TGI = 3019.95 nM 25437304
NPT399 Cell Line SF-295 Homo sapiens LC50 = 6165.95 nM 18052029
NPT458 Cell Line IGROV-1 Homo sapiens GI50 = 1949.84 nM DrugMatrix in vitro pharmacology data
NPT458 Cell Line IGROV-1 Homo sapiens LC50 = 8317.64 nM DrugMatrix in vitro pharmacology data
NPT458 Cell Line IGROV-1 Homo sapiens TGI = 4073.8 nM DrugMatrix in vitro pharmacology data
NPT455 Cell Line NCI-H522 Homo sapiens TGI = 3715.35 nM 17190448
NPT380 Cell Line U-251 Homo sapiens GI50 = 588.84 nM 9917306
NPT2 Others Unspecified GI50 = 1023.29 nM 15104506
NPT383 Cell Line SNB-19 Homo sapiens LC50 = 1659.59 nM 23819871
NPT401 Cell Line 786-0 Homo sapiens LC50 = 4073.8 nM 19943620
NPT139 Cell Line HT-29 Homo sapiens LC50 = 3801.89 nM 18052323
NPT139 Cell Line HT-29 Homo sapiens TGI = 1096.48 nM 18052323
NPT139 Cell Line HT-29 Homo sapiens GI50 = 309.03 nM 22537363
NPT83 Cell Line MCF7 Homo sapiens GI50 = 1819.7 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens LC50 = 70794.58 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens TGI = 6165.95 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens TGI = 2511.89 nM 22871217
NPT456 Cell Line OVCAR-4 Homo sapiens LC50 = 6606.93 nM 22871217
NPT385 Cell Line SR Homo sapiens GI50 = 281.84 nM 24893224
NPT390 Cell Line LOX IMVI Homo sapiens LC50 = 4677.35 nM 12444692
NPT390 Cell Line LOX IMVI Homo sapiens TGI = 2137.96 nM 12444692
NPT390 Cell Line LOX IMVI Homo sapiens GI50 = 1000 nM 12444692
NPT407 Cell Line COLO 205 Homo sapiens LC50 = 5248.07 nM 8350090
NPT407 Cell Line COLO 205 Homo sapiens TGI = 1862.09 nM 16933872
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 = 407.38 nM 20163893
NPT389 Cell Line RPMI-8226 Homo sapiens LC50 = 13182.57 nM 20163893
NPT392 Cell Line SNB-75 Homo sapiens TGI = 2951.21 nM 23859780
NPT455 Cell Line NCI-H522 Homo sapiens GI50 = 1862.09 nM 1708405
NPT170 Cell Line SK-MEL-28 Homo sapiens TGI = 1288.25 nM 17803266
NPT2 Others Unspecified TGI = 3019.95 nM 16366608
NPT2 Others Unspecified LC50 = 8912.51 nM 16366608
NPT112 Cell Line MOLT-4 Homo sapiens TGI = 1122.02 nM 20483615
NPT384 Cell Line TK-10 Homo sapiens LC50 = 6606.93 nM 20542692
NPT384 Cell Line TK-10 Homo sapiens TGI = 3019.95 nM 20226572
NPT112 Cell Line MOLT-4 Homo sapiens LC50 = 4168.69 nM DrugMatrix in vitro pharmacology data
NPT112 Cell Line MOLT-4 Homo sapiens GI50 = 323.59 nM DrugMatrix in vitro pharmacology data
NPT392 Cell Line SNB-75 Homo sapiens GI50 = 1584.89 nM 22405649
NPT374 Cell Line SF-539 Homo sapiens TGI = 1584.89 nM Open TG-GATES in vivo data: Biochemistry
NPT374 Cell Line SF-539 Homo sapiens GI50 = 416.87 nM Open TG-GATES in vivo data: Biochemistry
NPT373 Cell Line SK-MEL-5 Homo sapiens LC50 = 5248.07 nM 15161186
NPT397 Cell Line NCI-H460 Homo sapiens LC50 = 6760.83 nM 10.6019/CHEMBL1201861
NPT397 Cell Line NCI-H460 Homo sapiens GI50 = 1445.44 nM 10.6019/CHEMBL1201861
NPT382 Cell Line OVCAR-5 Homo sapiens TGI = 2630.27 nM 10.6019/CHEMBL1201861
NPT381 Cell Line OVCAR-8 Homo sapiens TGI = 3890.45 nM 23792316
NPT372 Cell Line HOP-92 Homo sapiens GI50 = 1318.26 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 = 457.09 nM 16180824
NPT369 Cell Line ACHN Homo sapiens TGI = 1548.82 nM 9358646
NPT386 Cell Line KM12 Homo sapiens GI50 = 1479.11 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens TGI = 3548.13 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens TGI = 3162.28 nM 18690216
NPT81 Cell Line A549 Homo sapiens TGI = 2818.38 nM 11858738
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 = 1659.59 nM 8699183
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 = 1318.26 nM 15787435
NPT382 Cell Line OVCAR-5 Homo sapiens LC50 = 5128.61 nM 20608716
NPT385 Cell Line SR Homo sapiens TGI = 1148.15 nM 4020828
NPT400 Cell Line MDA-MB-435 Homo sapiens LC50 = 6760.83 nM DrugMatrix in vivo data: Pathology
NPT401 Cell Line 786-0 Homo sapiens GI50 = 478.63 nM 17190457
NPT373 Cell Line SK-MEL-5 Homo sapiens TGI = 2630.27 nM 7528785
NPT398 Cell Line UACC-62 Homo sapiens GI50 = 1584.89 nM 24901800
NPT400 Cell Line MDA-MB-435 Homo sapiens TGI = 3090.3 nM 18630962
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 = 1445.44 nM 19093843
NPT383 Cell Line SNB-19 Homo sapiens GI50 = 6165.95 nM 11975486
NPT147 Cell Line SK-MEL-2 Homo sapiens TGI = 4786.3 nM 16562858
NPT116 Cell Line HL-60 Homo sapiens GI50 = 1318.26 nM 11087619
NPT116 Cell Line HL-60 Homo sapiens LC50 = 8511.38 nM 7760082
NPT116 Cell Line HL-60 Homo sapiens TGI = 3388.44 nM 17950610
NPT90 Cell Line DU-145 Homo sapiens GI50 = 1230.27 nM 21314138
NPT403 Cell Line UACC-257 Homo sapiens LC50 = 27542.29 nM 18280170
NPT403 Cell Line UACC-257 Homo sapiens GI50 = 2187.76 nM 18280170
NPT148 Cell Line HCT-15 Homo sapiens TGI = 2041.74 nM 1517742
NPT391 Cell Line HCC 2998 Homo sapiens TGI = 2951.21 nM 10820113
NPT379 Cell Line HOP-62 Homo sapiens LC50 = 4786.3 nM 11855986
NPT323 Cell Line SW-620 Homo sapiens TGI = 467.74 nM 23398362
NPT323 Cell Line SW-620 Homo sapiens GI50 = 213.8 nM 23398362
NPT403 Cell Line UACC-257 Homo sapiens TGI = 5248.07 nM 25819096
NPT384 Cell Line TK-10 Homo sapiens GI50 = 1380.38 nM 18163584
NPT394 Cell Line EKVX Homo sapiens GI50 = 1318.26 nM 12617583
NPT394 Cell Line EKVX Homo sapiens LC50 = 5754.4 nM 12617583
NPT397 Cell Line NCI-H460 Homo sapiens TGI = 3162.28 nM 10924166
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 = 1122.02 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens LC50 = 5623.41 nM 25798528
NPT82 Cell Line MDA-MB-231 Homo sapiens TGI = 2884.03 nM 17296745
NPT306 Cell Line PC-3 Homo sapiens GI50 = 741.31 nM 17638695
NPT369 Cell Line ACHN Homo sapiens LC50 = 3981.07 nM 19114678
NPT147 Cell Line SK-MEL-2 Homo sapiens LC50 = 16595.87 nM 16472241
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 = 676.08 nM 18183025
NPT404 Cell Line CCRF-CEM Homo sapiens TGI = 2238.72 nM 18183025
NPT404 Cell Line CCRF-CEM Homo sapiens LC50 = 6456.54 nM 18183025
NPT111 Cell Line K562 Homo sapiens TGI = 3715.35 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 = 1737.8 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens LC50 = 5248.07 nM 10.6019/CHEMBL1201861
NPT306 Cell Line PC-3 Homo sapiens TGI = 2137.96 nM 10.6019/CHEMBL1201861
NPT406 Cell Line RXF 393 Homo sapiens TGI = 2511.89 nM 10.6019/CHEMBL1201861
NPT379 Cell Line HOP-62 Homo sapiens GI50 = 1071.52 nM 15026054
NPT389 Cell Line RPMI-8226 Homo sapiens TGI = 2089.3 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens TGI = 2754.23 nM 18222017
NPT368 Cell Line SN12C Homo sapiens GI50 = 1348.96 nM 10879539
NPT81 Cell Line A549 Homo sapiens GI50 = 1230.27 nM 19805556
NPT323 Cell Line SW-620 Homo sapiens LC50 = 1071.52 nM 20585132
NPT386 Cell Line KM12 Homo sapiens LC50 = 8511.38 nM DrugMatrix in vitro pharmacology data
NPT376 Cell Line A498 Homo sapiens LC50 = 6760.83 nM 10560729
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 = 912.01 nM 19555122
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 = 1288.25 nM 22560833
NPT377 Cell Line OVCAR-3 Homo sapiens TGI = 2511.89 nM 15620248
NPT396 Cell Line T47D Homo sapiens LC50 = 25118.86 nM 9834152
NPT396 Cell Line T47D Homo sapiens GI50 = 831.76 nM 11858759
NPT396 Cell Line T47D Homo sapiens TGI = 3548.13 nM 8229009
NPT388 Cell Line NCI-H322M Homo sapiens TGI = 4265.8 nM 19928832
NPT388 Cell Line NCI-H322M Homo sapiens LC50 = 8709.64 nM 19928832
NPT388 Cell Line NCI-H322M Homo sapiens GI50 = 2137.96 nM 19928832
NPT379 Cell Line HOP-62 Homo sapiens TGI = 2238.72 nM 15568791
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 = 676.08 nM 16420055
NPT393 Cell Line HCT-116 Homo sapiens TGI = 1380.38 nM 15104505
NPT393 Cell Line HCT-116 Homo sapiens GI50 = 407.38 nM 15104505
NPT393 Cell Line HCT-116 Homo sapiens LC50 = 3715.35 nM 16309309
NPT455 Cell Line NCI-H522 Homo sapiens LC50 = 7585.78 nM 13678412
NPT81 Cell Line A549 Homo sapiens LC50 = 6606.93 nM 15857128
NPT457 Cell Line BT-549 Homo sapiens TGI = 1778.28 nM 15711537
NPT457 Cell Line BT-549 Homo sapiens GI50 = 562.34 nM 15711537
NPT378 Cell Line NCI/ADR-RES Homo sapiens TGI = 3467.37 nM 18183025
NPT378 Cell Line NCI/ADR-RES Homo sapiens LC50 = 7079.46 nM 18183025
NPT380 Cell Line U-251 Homo sapiens TGI = 1778.28 nM DrugMatrix in vitro pharmacology data
NPT387 Cell Line M14 Homo sapiens TGI = 2754.23 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 = 1445.44 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens LC50 = 5370.32 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens LC50 = 7762.47 nM 23398362
NPT457 Cell Line BT-549 Homo sapiens LC50 = 4365.16 nM 25700232
NPT405 Cell Line NCI-H226 Homo sapiens LC50 = 6760.83 nM 23350733
NPT405 Cell Line NCI-H226 Homo sapiens GI50 = 1584.89 nM 23350733
NPT407 Cell Line COLO 205 Homo sapiens GI50 = 537.03 nM 11720540
NPT406 Cell Line RXF 393 Homo sapiens GI50 = 1148.15 nM 18817444
NPT405 Cell Line NCI-H226 Homo sapiens TGI = 3235.94 nM 16562826
NPT380 Cell Line U-251 Homo sapiens LC50 = 4265.8 nM 25442304
NPT395 Cell Line SF-268 Homo sapiens LC50 = 7413.1 nM 23623680
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 = 1479.11 nM 6481359
NPT398 Cell Line UACC-62 Homo sapiens TGI = 2951.21 nM 16420055
NPT398 Cell Line UACC-62 Homo sapiens LC50 = 5495.41 nM 16420055
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 = 389.05 nM 20030365
NPT370 Cell Line NCI-H23 Homo sapiens LC50 = 6165.95 nM 17958396
NPT370 Cell Line NCI-H23 Homo sapiens TGI = 3235.94 nM 17958396
NPT370 Cell Line NCI-H23 Homo sapiens GI50 = 1659.59 nM 17958396
NPT406 Cell Line RXF 393 Homo sapiens LC50 = 5370.32 nM 24717151
NPT401 Cell Line 786-0 Homo sapiens TGI = 1621.81 nM 21856049
NPT376 Cell Line A498 Homo sapiens GI50 = 1819.7 nM 21534539
NPT376 Cell Line A498 Homo sapiens TGI = 3467.37 nM 21534539
NPT146 Cell Line SK-OV-3 Homo sapiens LC50 = 8128.31 nM 17210778
NPT146 Cell Line SK-OV-3 Homo sapiens TGI = 3981.07 nM 17210778
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 = 1995.26 nM 17220402
NPT148 Cell Line HCT-15 Homo sapiens GI50 = 758.58 nM 20194693
NPT148 Cell Line HCT-15 Homo sapiens LC50 = 4786.3 nM 18180352
NPT377 Cell Line OVCAR-3 Homo sapiens LC50 = 5495.41 nM 20498315
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 = 2238.72 nM 19104019
NPT90 Cell Line DU-145 Homo sapiens TGI = 2511.89 nM 18591275
NPT90 Cell Line DU-145 Homo sapiens LC50 = 5128.61 nM 18591275
NPT394 Cell Line EKVX Homo sapiens TGI = 2754.23 nM 21126060
NPT372 Cell Line HOP-92 Homo sapiens LC50 = 5495.41 nM DrugMatrix in vitro pharmacology data
NPT375 Cell Line Malme-3M Homo sapiens TGI = 3890.45 nM Open TG-GATES in vivo data: Hematology
NPT375 Cell Line Malme-3M Homo sapiens GI50 = 1949.84 nM Open TG-GATES in vivo data: Hematology
NPT391 Cell Line HCC 2998 Homo sapiens GI50 = 1513.56 nM 25495219
NPT395 Cell Line SF-268 Homo sapiens TGI = 3235.94 nM 15497948
NPT392 Cell Line SNB-75 Homo sapiens LC50 = 5495.41 nM 26126961
NPT381 Cell Line OVCAR-8 Homo sapiens LC50 = 57543.99 nM 17328523
NPT395 Cell Line SF-268 Homo sapiens GI50 = 1445.44 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens TGI = 2691.53 nM 17190464
NPT371 Cell Line UO-31 Homo sapiens GI50 = 1230.27 nM 15270556
NPT371 Cell Line UO-31 Homo sapiens TGI = 2570.4 nM 24099364

  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 NPC473319 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 NPC3032
1.0 High Similarity NPC131104
0.9762 High Similarity NPC475211
0.9762 High Similarity NPC88337
0.9512 High Similarity NPC9060
0.9512 High Similarity NPC237938
0.9512 High Similarity NPC219535
0.9512 High Similarity NPC181871
0.9412 High Similarity NPC67653
0.9412 High Similarity NPC471459
0.9398 High Similarity NPC474572
0.9286 High Similarity NPC83242
0.8605 High Similarity NPC473336
0.8605 High Similarity NPC473299
0.8605 High Similarity NPC477434
0.8605 High Similarity NPC471044
0.8523 High Similarity NPC470920
0.8478 Intermediate Similarity NPC62407
0.8478 Intermediate Similarity NPC287354
0.8471 Intermediate Similarity NPC476071
0.8462 Intermediate Similarity NPC476189
0.8427 Intermediate Similarity NPC236459
0.8409 Intermediate Similarity NPC120395
0.8409 Intermediate Similarity NPC248216
0.8372 Intermediate Similarity NPC61107
0.8372 Intermediate Similarity NPC289486
0.8313 Intermediate Similarity NPC474020
0.8295 Intermediate Similarity NPC62572
0.8295 Intermediate Similarity NPC477205
0.8295 Intermediate Similarity NPC473350
0.8276 Intermediate Similarity NPC15091
0.8242 Intermediate Similarity NPC185529
0.8242 Intermediate Similarity NPC472146
0.8191 Intermediate Similarity NPC163685
0.8161 Intermediate Similarity NPC268040
0.8132 Intermediate Similarity NPC200580
0.8132 Intermediate Similarity NPC477440
0.8132 Intermediate Similarity NPC477443
0.8132 Intermediate Similarity NPC61688
0.8118 Intermediate Similarity NPC31031
0.8118 Intermediate Similarity NPC472608
0.8118 Intermediate Similarity NPC243594
0.8095 Intermediate Similarity NPC108840
0.809 Intermediate Similarity NPC131350
0.8085 Intermediate Similarity NPC82633
0.8061 Intermediate Similarity NPC282233
0.8061 Intermediate Similarity NPC95585
0.8046 Intermediate Similarity NPC50658
0.8046 Intermediate Similarity NPC48756
0.8046 Intermediate Similarity NPC280781
0.8046 Intermediate Similarity NPC475743
0.8043 Intermediate Similarity NPC477442
0.8043 Intermediate Similarity NPC77756
0.8043 Intermediate Similarity NPC477433
0.8043 Intermediate Similarity NPC477444
0.8023 Intermediate Similarity NPC201276
0.8023 Intermediate Similarity NPC80891
0.8023 Intermediate Similarity NPC320144
0.8021 Intermediate Similarity NPC471038
0.8 Intermediate Similarity NPC302111
0.8 Intermediate Similarity NPC112463
0.8 Intermediate Similarity NPC235109
0.8 Intermediate Similarity NPC219353
0.8 Intermediate Similarity NPC329910
0.7979 Intermediate Similarity NPC469982
0.7978 Intermediate Similarity NPC25037
0.7978 Intermediate Similarity NPC34984
0.7976 Intermediate Similarity NPC179858
0.7957 Intermediate Similarity NPC52756
0.7957 Intermediate Similarity NPC475878
0.7955 Intermediate Similarity NPC30583
0.7931 Intermediate Similarity NPC261616
0.7917 Intermediate Similarity NPC472145
0.7907 Intermediate Similarity NPC324700
0.7907 Intermediate Similarity NPC171426
0.7907 Intermediate Similarity NPC80089
0.7907 Intermediate Similarity NPC185465
0.7907 Intermediate Similarity NPC26029
0.7907 Intermediate Similarity NPC34046
0.7907 Intermediate Similarity NPC224802
0.7895 Intermediate Similarity NPC470232
0.7895 Intermediate Similarity NPC470229
0.7889 Intermediate Similarity NPC477445
0.7882 Intermediate Similarity NPC471046
0.7872 Intermediate Similarity NPC199543
0.7872 Intermediate Similarity NPC244356
0.7872 Intermediate Similarity NPC224060
0.7857 Intermediate Similarity NPC46848
0.7857 Intermediate Similarity NPC52899
0.7857 Intermediate Similarity NPC168511
0.7857 Intermediate Similarity NPC163963
0.7857 Intermediate Similarity NPC289148
0.7857 Intermediate Similarity NPC159325
0.7849 Intermediate Similarity NPC50443
0.7849 Intermediate Similarity NPC18536
0.7835 Intermediate Similarity NPC472144
0.7826 Intermediate Similarity NPC477614
0.7826 Intermediate Similarity NPC471221
0.7826 Intermediate Similarity NPC226491
0.7812 Intermediate Similarity NPC29410
0.7812 Intermediate Similarity NPC193785
0.7812 Intermediate Similarity NPC200054
0.78 Intermediate Similarity NPC98603
0.7791 Intermediate Similarity NPC221420
0.7791 Intermediate Similarity NPC143133
0.7791 Intermediate Similarity NPC298168
0.7789 Intermediate Similarity NPC475118
0.7789 Intermediate Similarity NPC309127
0.7789 Intermediate Similarity NPC470385
0.7789 Intermediate Similarity NPC470386
0.7789 Intermediate Similarity NPC247877
0.7789 Intermediate Similarity NPC47853
0.7778 Intermediate Similarity NPC214946
0.7778 Intermediate Similarity NPC319909
0.7778 Intermediate Similarity NPC148628
0.7778 Intermediate Similarity NPC304832
0.7778 Intermediate Similarity NPC275990
0.7778 Intermediate Similarity NPC470172
0.7778 Intermediate Similarity NPC246736
0.7778 Intermediate Similarity NPC50438
0.7778 Intermediate Similarity NPC475689
0.7778 Intermediate Similarity NPC88203
0.7778 Intermediate Similarity NPC76866
0.7778 Intermediate Similarity NPC286519
0.7766 Intermediate Similarity NPC198054
0.7765 Intermediate Similarity NPC159789
0.7755 Intermediate Similarity NPC293866
0.7755 Intermediate Similarity NPC287676
0.7755 Intermediate Similarity NPC293890
0.7742 Intermediate Similarity NPC56962
0.7742 Intermediate Similarity NPC24705
0.7738 Intermediate Similarity NPC477229
0.7738 Intermediate Similarity NPC68426
0.7738 Intermediate Similarity NPC282905
0.7727 Intermediate Similarity NPC125366
0.7727 Intermediate Similarity NPC477851
0.7717 Intermediate Similarity NPC252714
0.7717 Intermediate Similarity NPC239938
0.7708 Intermediate Similarity NPC98639
0.7701 Intermediate Similarity NPC475725
0.77 Intermediate Similarity NPC216114
0.77 Intermediate Similarity NPC473406
0.77 Intermediate Similarity NPC139347
0.77 Intermediate Similarity NPC209298
0.77 Intermediate Similarity NPC277074
0.77 Intermediate Similarity NPC122811
0.77 Intermediate Similarity NPC87927
0.77 Intermediate Similarity NPC96217
0.7684 Intermediate Similarity NPC472147
0.7684 Intermediate Similarity NPC474379
0.7684 Intermediate Similarity NPC472148
0.7684 Intermediate Similarity NPC161035
0.7677 Intermediate Similarity NPC148279
0.7674 Intermediate Similarity NPC472486
0.7674 Intermediate Similarity NPC472487
0.7674 Intermediate Similarity NPC5767
0.7674 Intermediate Similarity NPC4209
0.7674 Intermediate Similarity NPC475742
0.767 Intermediate Similarity NPC87393
0.7667 Intermediate Similarity NPC269684
0.766 Intermediate Similarity NPC470114
0.766 Intermediate Similarity NPC169933
0.766 Intermediate Similarity NPC476296
0.7653 Intermediate Similarity NPC474793
0.7653 Intermediate Similarity NPC98837
0.7653 Intermediate Similarity NPC26270
0.7653 Intermediate Similarity NPC16911
0.7653 Intermediate Similarity NPC475876
0.7653 Intermediate Similarity NPC38296
0.7653 Intermediate Similarity NPC78427
0.7653 Intermediate Similarity NPC89099
0.7653 Intermediate Similarity NPC162459
0.7653 Intermediate Similarity NPC38471
0.7653 Intermediate Similarity NPC20479
0.7653 Intermediate Similarity NPC28864
0.7647 Intermediate Similarity NPC176949
0.7647 Intermediate Similarity NPC201908
0.7647 Intermediate Similarity NPC55508
0.7647 Intermediate Similarity NPC471246
0.764 Intermediate Similarity NPC58631
0.764 Intermediate Similarity NPC73515
0.764 Intermediate Similarity NPC474870
0.764 Intermediate Similarity NPC271572
0.7634 Intermediate Similarity NPC476379
0.7634 Intermediate Similarity NPC476435
0.7629 Intermediate Similarity NPC475765
0.7629 Intermediate Similarity NPC223169
0.7629 Intermediate Similarity NPC477264
0.7629 Intermediate Similarity NPC116683
0.7629 Intermediate Similarity NPC475785
0.7629 Intermediate Similarity NPC470387
0.7624 Intermediate Similarity NPC327093
0.7624 Intermediate Similarity NPC84928
0.7619 Intermediate Similarity NPC157571
0.7614 Intermediate Similarity NPC220379
0.7614 Intermediate Similarity NPC73013
0.7609 Intermediate Similarity NPC80700
0.7609 Intermediate Similarity NPC476717
0.7609 Intermediate Similarity NPC472272
0.7609 Intermediate Similarity NPC477441

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473319 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
0.7907 Intermediate Similarity NPD6114 Approved
0.7907 Intermediate Similarity NPD6115 Approved
0.7907 Intermediate Similarity NPD6697 Approved
0.7907 Intermediate Similarity NPD6118 Approved
0.7765 Intermediate Similarity NPD3703 Phase 2
0.7674 Intermediate Similarity NPD6117 Approved
0.7586 Intermediate Similarity NPD6116 Phase 1
0.7442 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7396 Intermediate Similarity NPD8035 Phase 2
0.7396 Intermediate Similarity NPD8034 Phase 2
0.7238 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD7902 Approved
0.7176 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7128 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD7748 Approved
0.7041 Intermediate Similarity NPD7515 Phase 2
0.7027 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD5777 Approved
0.69 Remote Similarity NPD7901 Clinical (unspecified phase)
0.69 Remote Similarity NPD7900 Approved
0.6897 Remote Similarity NPD4244 Approved
0.6897 Remote Similarity NPD4245 Approved
0.6852 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6824 Remote Similarity NPD4224 Phase 2
0.6818 Remote Similarity NPD6081 Approved
0.681 Remote Similarity NPD8328 Phase 3
0.6792 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6782 Remote Similarity NPD3698 Phase 2
0.6778 Remote Similarity NPD3702 Approved
0.6705 Remote Similarity NPD4789 Approved
0.6667 Remote Similarity NPD5360 Phase 3
0.6667 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6635 Remote Similarity NPD7638 Approved
0.6634 Remote Similarity NPD6399 Phase 3
0.6602 Remote Similarity NPD4697 Phase 3
0.6571 Remote Similarity NPD7640 Approved
0.6571 Remote Similarity NPD7639 Approved
0.6559 Remote Similarity NPD3671 Phase 1
0.6545 Remote Similarity NPD6372 Approved
0.6545 Remote Similarity NPD6373 Approved
0.6512 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6509 Remote Similarity NPD1700 Approved
0.6496 Remote Similarity NPD6921 Approved
0.6449 Remote Similarity NPD7632 Discontinued
0.6429 Remote Similarity NPD6650 Approved
0.6429 Remote Similarity NPD6649 Approved
0.6422 Remote Similarity NPD6675 Approved
0.6422 Remote Similarity NPD7128 Approved
0.6422 Remote Similarity NPD6402 Approved
0.6422 Remote Similarity NPD5739 Approved
0.6421 Remote Similarity NPD6928 Phase 2
0.6415 Remote Similarity NPD8418 Phase 2
0.6393 Remote Similarity NPD7319 Approved
0.6392 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6392 Remote Similarity NPD3669 Approved
0.6383 Remote Similarity NPD4238 Approved
0.6383 Remote Similarity NPD4802 Phase 2
0.6373 Remote Similarity NPD6411 Approved
0.6354 Remote Similarity NPD1780 Approved
0.6354 Remote Similarity NPD1779 Approved
0.6337 Remote Similarity NPD5328 Approved
0.6311 Remote Similarity NPD7736 Approved
0.6306 Remote Similarity NPD7320 Approved
0.6306 Remote Similarity NPD6899 Approved
0.6306 Remote Similarity NPD6881 Approved
0.6281 Remote Similarity NPD7507 Approved
0.6273 Remote Similarity NPD6008 Approved
0.6271 Remote Similarity NPD6319 Approved
0.6264 Remote Similarity NPD4758 Discontinued
0.6222 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6216 Remote Similarity NPD5697 Approved
0.6216 Remote Similarity NPD5701 Approved
0.6214 Remote Similarity NPD6079 Approved
0.6211 Remote Similarity NPD5364 Discontinued
0.62 Remote Similarity NPD3618 Phase 1
0.6198 Remote Similarity NPD7492 Approved
0.6195 Remote Similarity NPD7290 Approved
0.6195 Remote Similarity NPD6883 Approved
0.6195 Remote Similarity NPD7102 Approved
0.6195 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6176 Remote Similarity NPD6101 Approved
0.6176 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6174 Remote Similarity NPD8133 Approved
0.6174 Remote Similarity NPD4632 Approved
0.6161 Remote Similarity NPD6011 Approved
0.6154 Remote Similarity NPD5778 Approved
0.6154 Remote Similarity NPD7115 Discovery
0.6154 Remote Similarity NPD5779 Approved
0.6148 Remote Similarity NPD6616 Approved
0.614 Remote Similarity NPD6617 Approved
0.614 Remote Similarity NPD6847 Approved
0.614 Remote Similarity NPD6869 Approved
0.614 Remote Similarity NPD8130 Phase 1
0.614 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6139 Remote Similarity NPD3573 Approved
0.6134 Remote Similarity NPD6059 Approved
0.6134 Remote Similarity NPD6054 Approved
0.6111 Remote Similarity NPD229 Approved
0.6106 Remote Similarity NPD6012 Approved
0.6106 Remote Similarity NPD6013 Approved
0.6106 Remote Similarity NPD6014 Approved
0.6106 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6098 Remote Similarity NPD615 Clinical (unspecified phase)
0.6098 Remote Similarity NPD7078 Approved
0.6098 Remote Similarity NPD8293 Discontinued
0.6098 Remote Similarity NPD3729 Clinical (unspecified phase)
0.6087 Remote Similarity NPD6882 Approved
0.6087 Remote Similarity NPD8297 Approved
0.6078 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6068 Remote Similarity NPD6940 Discontinued
0.6033 Remote Similarity NPD6370 Approved
0.6023 Remote Similarity NPD7909 Approved
0.6017 Remote Similarity NPD6009 Approved
0.6 Remote Similarity NPD4786 Approved
0.5984 Remote Similarity NPD7604 Phase 2
0.5981 Remote Similarity NPD5221 Approved
0.5981 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5981 Remote Similarity NPD5222 Approved
0.5979 Remote Similarity NPD7645 Phase 2
0.596 Remote Similarity NPD3667 Approved
0.595 Remote Similarity NPD5983 Phase 2
0.595 Remote Similarity NPD6016 Approved
0.595 Remote Similarity NPD6015 Approved
0.5932 Remote Similarity NPD6868 Approved
0.5929 Remote Similarity NPD6412 Phase 2
0.5929 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5926 Remote Similarity NPD6084 Phase 2
0.5926 Remote Similarity NPD5173 Approved
0.5926 Remote Similarity NPD4755 Approved
0.5926 Remote Similarity NPD6083 Phase 2
0.5913 Remote Similarity NPD4634 Approved
0.5902 Remote Similarity NPD5988 Approved
0.59 Remote Similarity NPD4788 Approved
0.5887 Remote Similarity NPD6336 Discontinued
0.5882 Remote Similarity NPD6409 Approved
0.5882 Remote Similarity NPD7521 Approved
0.5882 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5882 Remote Similarity NPD7334 Approved
0.5882 Remote Similarity NPD6684 Approved
0.5882 Remote Similarity NPD5330 Approved
0.5882 Remote Similarity NPD7146 Approved
0.5872 Remote Similarity NPD4225 Approved
0.5865 Remote Similarity NPD7285 Clinical (unspecified phase)
0.5849 Remote Similarity NPD8171 Discontinued
0.5841 Remote Similarity NPD6920 Discontinued
0.5833 Remote Similarity NPD6335 Approved
0.5818 Remote Similarity NPD5285 Approved
0.5818 Remote Similarity NPD4696 Approved
0.5818 Remote Similarity NPD4700 Approved
0.5818 Remote Similarity NPD5286 Approved
0.5806 Remote Similarity NPD4787 Phase 1
0.58 Remote Similarity NPD7345 Approved
0.5798 Remote Similarity NPD6274 Approved
0.5794 Remote Similarity NPD6033 Approved
0.5785 Remote Similarity NPD7100 Approved
0.5785 Remote Similarity NPD7101 Approved
0.5778 Remote Similarity NPD9496 Clinical (unspecified phase)
0.5769 Remote Similarity NPD5737 Approved
0.5769 Remote Similarity NPD6903 Approved
0.5769 Remote Similarity NPD6672 Approved
0.5766 Remote Similarity NPD5223 Approved
0.5763 Remote Similarity NPD8298 Phase 2
0.575 Remote Similarity NPD6317 Approved
0.5747 Remote Similarity NPD3198 Approved
0.5741 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5739 Remote Similarity NPD6686 Approved
0.5728 Remote Similarity NPD5786 Approved
0.5727 Remote Similarity NPD5696 Approved
0.5714 Remote Similarity NPD8139 Approved
0.5714 Remote Similarity NPD8086 Approved
0.5714 Remote Similarity NPD8082 Approved
0.5714 Remote Similarity NPD5225 Approved
0.5714 Remote Similarity NPD5224 Approved
0.5714 Remote Similarity NPD8085 Approved
0.5714 Remote Similarity NPD5226 Approved
0.5714 Remote Similarity NPD5211 Phase 2
0.5714 Remote Similarity NPD8084 Approved
0.5714 Remote Similarity NPD8138 Approved
0.5714 Remote Similarity NPD4633 Approved
0.5714 Remote Similarity NPD8083 Approved
0.5702 Remote Similarity NPD6314 Approved
0.5702 Remote Similarity NPD8393 Approved
0.5702 Remote Similarity NPD6313 Approved
0.5701 Remote Similarity NPD4202 Approved
0.5691 Remote Similarity NPD6909 Approved
0.5691 Remote Similarity NPD6291 Clinical (unspecified phase)
0.5691 Remote Similarity NPD6908 Approved
0.5688 Remote Similarity NPD7614 Phase 1
0.5686 Remote Similarity NPD3666 Approved
0.5686 Remote Similarity NPD3133 Approved
0.5686 Remote Similarity NPD3665 Phase 1
0.5664 Remote Similarity NPD8276 Approved
0.5664 Remote Similarity NPD5174 Approved
0.5664 Remote Similarity NPD4754 Approved
0.5664 Remote Similarity NPD8275 Approved
0.5664 Remote Similarity NPD5175 Approved
0.5638 Remote Similarity NPD7532 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   44445344
ChEMBL   CHEMBL400000
ZINC  

Physicochemical Properties

Molecular Weight:  460.32
ALogP:  0.6261
MLogP:  3.99
XLogP:  7.141
# Rotatable Bonds:  12
Polar Surface Area:  80.67
# H-Bond Aceptor:  5
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  33

Download Data

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