Natural Product: NPC316164

Natural Product ID:  NPC316164
Common Name:   2-[(E)-But-2-En-2-Yl]-10-[4-(Dimethylamino)-5-Hydroxy-4,6-Dimethyloxan-2-Yl]-8-[4-(Dimethylamino)-5-Hydroxy-6-Methyloxan-2-Yl]-11-Hydroxy-5-Methylnaphtho[2,3-H]Chromene-4,7,12-Trione
IUPAC Name:   2-[(E)-but-2-en-2-yl]-10-[4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-11-hydroxy-5-methylnaphtho[2,3-h]chromene-4,7,12-trione
Synonyms:  
Molecular Formula:   C39H48N2O9
Standard InCHIKey:  MFTJRTUKCOVIMD-GZTJUZNOSA-N
Standard InCHI:  InChI=1S/C39H48N2O9/c1-11-17(2)26-15-25(42)29-18(3)12-23-31(37(29)50-26)36(46)32-30(35(23)45)21(27-14-24(40(7)8)33(43)19(4)48-27)13-22(34(32)44)28-16-39(6,41(9)10)38(47)20(5)49-28/h11-13,15,19-20,24,27-28,33,38,43-44,47H,14,16H2,1-10H3/b17-11+
Canonical SMILES:  C/C=C(/c1cc(=O)c2c(o1)c1C(=O)c3c(O)c(cc(c3C(=O)c1cc2C)C1OC(C)C(C(C1)N(C)C)O)C1OC(C)C(C(C1)(C)N(C)C)O)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
NPO22810 Streptomyces Species Streptomycetaceae Bacteria StreptomeDB*
NPO26038.1 Streptomyces phaeoverticillatus var. takatsukiensis 2-89 Varieties Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT368 Cell Line SN12C Homo sapiens GI50 234.42 nM PubChem BioAssay data set
NPT367 Cell Line MDA-N Homo sapiens GI50 177.83 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 3069.02 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 2365.92 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 164.82 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 167.49 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 530.88 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 78.89 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 3971.92 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 81.85 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 1475.71 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 256.45 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 2857.59 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 145.55 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 3589.22 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 138.04 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 180.72 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 246.6 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 3459.39 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 1958.84 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 3140.51 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 76.21 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 6309.57 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 687.07 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 198.61 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 214.29 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 6606.93 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 121.34 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 4528.98 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 28.05 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 580.76 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 205.59 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 2398.83 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 1737.8 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 579.43 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 70.15 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 3793.15 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 2594.18 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 404.58 nM PubChem BioAssay data set
NPT572 Cell Line DMS-273 Homo sapiens GI50 1914.26 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 156.31 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 266.69 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 73.62 nM PubChem BioAssay data set
NPT573 Cell Line M19-MEL Homo sapiens GI50 3213.66 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 236.59 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 1990.67 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 2415.46 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 82.6 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 2322.74 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 2710.19 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 128.82 nM PubChem BioAssay data set
NPT574 Cell Line XF498 Homo sapiens GI50 10 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 208.45 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 3531.83 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 220.29 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 2851.02 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 204.17 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 1794.73 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 231.21 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 223.36 nM PubChem BioAssay data set
NPT168 Cell Line P388 Mus musculus GI50 963.83 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 68.55 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 3672.82 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 283.14 nM PubChem BioAssay data set
NPT575 Cell Line KM-20L2 Homo sapiens GI50 2811.9 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 153.46 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 2851.02 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 1840.77 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 147.23 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 4017.91 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 144.54 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 419.76 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 537.03 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 3221.07 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 133.35 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 3732.5 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 48.19 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 632.41 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 853.1 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 33.42 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 340.41 nM PubChem BioAssay data set
NPT576 Cell Line DMS-114 Homo sapiens GI50 1496.24 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 229.09 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 6637.43 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 273.53 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 340.41 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 257.04 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 16 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 4345.1 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 144.54 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 2074.91 nM PubChem BioAssay data set
NPT552 Cell Line P388/ADR Mus musculus GI50 3076.1 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 2259.44 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 216.77 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 272.9 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 224.39 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 4345.1 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 246.6 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 288.4 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 130.02 nM PubChem BioAssay data set
NPT578 Cell Line SNB-78 Homo sapiens GI50 3872.58 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 2582.26 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 2172.7 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 505.82 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 49.32 nM PubChem BioAssay data set
NPT579 Cell Line DLD-1 Homo sapiens GI50 2312.06 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 1339.68 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 209.89 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 2197.86 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 209.41 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 1389.95 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 4539.42 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 81.85 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 156.31 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 3206.27 nM PubChem BioAssay data set
NPT732 Cell Line HOP-18 Homo sapiens GI50 154.17 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 223.87 nM PubChem BioAssay data set
NPT738 Cell Line SN12K1 Homo sapiens GI50 1264.74 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 NPC316164 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
0.978 High Similarity NPC314946
0.9727 High Similarity NPC314596
0.8821 High Similarity NPC315253
0.849 Intermediate Similarity NPC313274
0.8254 Intermediate Similarity NPC329790
0.8247 Intermediate Similarity NPC42286
0.8223 Intermediate Similarity NPC314941
0.8144 Intermediate Similarity NPC204580
0.8138 Intermediate Similarity NPC46958
0.8103 Intermediate Similarity NPC315351
0.8103 Intermediate Similarity NPC316412
0.8103 Intermediate Similarity NPC83019
0.81 Intermediate Similarity NPC315889
0.8042 Intermediate Similarity NPC475246
0.8021 Intermediate Similarity NPC469437
0.802 Intermediate Similarity NPC261012
0.802 Intermediate Similarity NPC109403
0.802 Intermediate Similarity NPC314738
0.8011 Intermediate Similarity NPC129578
0.801 Intermediate Similarity NPC475161
0.801 Intermediate Similarity NPC477860
0.799 Intermediate Similarity NPC252156
0.7989 Intermediate Similarity NPC3718
0.7979 Intermediate Similarity NPC87583
0.7979 Intermediate Similarity NPC30432
0.7979 Intermediate Similarity NPC271385
0.7979 Intermediate Similarity NPC76128
0.7979 Intermediate Similarity NPC111536
0.7979 Intermediate Similarity NPC5029
0.7947 Intermediate Similarity NPC289876
0.7937 Intermediate Similarity NPC472054
0.7937 Intermediate Similarity NPC213052
0.7937 Intermediate Similarity NPC203751
0.7923 Intermediate Similarity NPC313582
0.7917 Intermediate Similarity NPC208069
0.7895 Intermediate Similarity NPC68381
0.7876 Intermediate Similarity NPC313452
0.7865 Intermediate Similarity NPC153578
0.7865 Intermediate Similarity NPC277710
0.7865 Intermediate Similarity NPC299149
0.7865 Intermediate Similarity NPC114257
0.7865 Intermediate Similarity NPC58538
0.7861 Intermediate Similarity NPC178173
0.7853 Intermediate Similarity NPC475233
0.7853 Intermediate Similarity NPC102053
0.7847 Intermediate Similarity NPC170101
0.7842 Intermediate Similarity NPC199357
0.7842 Intermediate Similarity NPC309692
0.7842 Intermediate Similarity NPC154986
0.7842 Intermediate Similarity NPC85368
0.7837 Intermediate Similarity NPC82056
0.7824 Intermediate Similarity NPC197357
0.7824 Intermediate Similarity NPC85316
0.7824 Intermediate Similarity NPC315221
0.7819 Intermediate Similarity NPC324522
0.7819 Intermediate Similarity NPC470341
0.7819 Intermediate Similarity NPC472058
0.7819 Intermediate Similarity NPC234497
0.7819 Intermediate Similarity NPC474024
0.7819 Intermediate Similarity NPC105414
0.7819 Intermediate Similarity NPC63470
0.7812 Intermediate Similarity NPC207467
0.7807 Intermediate Similarity NPC469664
0.7802 Intermediate Similarity NPC214632
0.7801 Intermediate Similarity NPC474345
0.7801 Intermediate Similarity NPC63105
0.7796 Intermediate Similarity NPC278329
0.7796 Intermediate Similarity NPC146837
0.7796 Intermediate Similarity NPC212099
0.7796 Intermediate Similarity NPC101116
0.7788 Intermediate Similarity NPC478046
0.7788 Intermediate Similarity NPC321226
0.7788 Intermediate Similarity NPC180210
0.7788 Intermediate Similarity NPC478047
0.7788 Intermediate Similarity NPC314914
0.7788 Intermediate Similarity NPC328856
0.7784 Intermediate Similarity NPC470810
0.7778 Intermediate Similarity NPC314459
0.7778 Intermediate Similarity NPC259905
0.7778 Intermediate Similarity NPC470199
0.7778 Intermediate Similarity NPC222455
0.7772 Intermediate Similarity NPC473785
0.7772 Intermediate Similarity NPC84494
0.7772 Intermediate Similarity NPC212290
0.7772 Intermediate Similarity NPC245059
0.7766 Intermediate Similarity NPC469394
0.7766 Intermediate Similarity NPC314672
0.7751 Intermediate Similarity NPC284236
0.7751 Intermediate Similarity NPC316368
0.7749 Intermediate Similarity NPC98776
0.7747 Intermediate Similarity NPC154683
0.7747 Intermediate Similarity NPC40356
0.7744 Intermediate Similarity NPC292706
0.7744 Intermediate Similarity NPC224557
0.7742 Intermediate Similarity NPC472261
0.7742 Intermediate Similarity NPC3629
0.774 Intermediate Similarity NPC38964
0.774 Intermediate Similarity NPC478048
0.7737 Intermediate Similarity NPC313304
0.7737 Intermediate Similarity NPC298778
0.7732 Intermediate Similarity NPC164047
0.7732 Intermediate Similarity NPC470452
0.7732 Intermediate Similarity NPC470453
0.7732 Intermediate Similarity NPC470448
0.7725 Intermediate Similarity NPC218226
0.7725 Intermediate Similarity NPC225419
0.7725 Intermediate Similarity NPC76647
0.772 Intermediate Similarity NPC477683
0.772 Intermediate Similarity NPC477682
0.7717 Intermediate Similarity NPC478027
0.7717 Intermediate Similarity NPC78492
0.7717 Intermediate Similarity NPC208152
0.7713 Intermediate Similarity NPC472057
0.7713 Intermediate Similarity NPC472051
0.7713 Intermediate Similarity NPC178281
0.7708 Intermediate Similarity NPC294149
0.7708 Intermediate Similarity NPC307754
0.7708 Intermediate Similarity NPC146803
0.7708 Intermediate Similarity NPC477991
0.7708 Intermediate Similarity NPC223735
0.7708 Intermediate Similarity NPC477992
0.7708 Intermediate Similarity NPC70862
0.7705 Intermediate Similarity NPC109594
0.7705 Intermediate Similarity NPC326592
0.7705 Intermediate Similarity NPC469405
0.7705 Intermediate Similarity NPC112701
0.7704 Intermediate Similarity NPC475220
0.7704 Intermediate Similarity NPC221140
0.7704 Intermediate Similarity NPC475352
0.7704 Intermediate Similarity NPC229817
0.7704 Intermediate Similarity NPC241847
0.7704 Intermediate Similarity NPC473686
0.7701 Intermediate Similarity NPC473961
0.7701 Intermediate Similarity NPC15374
0.77 Intermediate Similarity NPC470197
0.77 Intermediate Similarity NPC470194
0.77 Intermediate Similarity NPC470195
0.77 Intermediate Similarity NPC282474
0.77 Intermediate Similarity NPC316274
0.77 Intermediate Similarity NPC470196
0.77 Intermediate Similarity NPC470198
0.77 Intermediate Similarity NPC470200
0.77 Intermediate Similarity NPC470193
0.7696 Intermediate Similarity NPC315619
0.7696 Intermediate Similarity NPC473113
0.7692 Intermediate Similarity NPC473717
0.7692 Intermediate Similarity NPC470569
0.7692 Intermediate Similarity NPC473631
0.7692 Intermediate Similarity NPC293227
0.7692 Intermediate Similarity NPC475662
0.7688 Intermediate Similarity NPC471976
0.7684 Intermediate Similarity NPC102810
0.7684 Intermediate Similarity NPC246274
0.768 Intermediate Similarity NPC72783
0.7677 Intermediate Similarity NPC264938
0.7676 Intermediate Similarity NPC201127
0.7676 Intermediate Similarity NPC263483
0.7674 Intermediate Similarity NPC315914
0.7673 Intermediate Similarity NPC244191
0.7672 Intermediate Similarity NPC178851
0.7672 Intermediate Similarity NPC272502
0.7672 Intermediate Similarity NPC43319
0.7668 Intermediate Similarity NPC312630
0.7668 Intermediate Similarity NPC324220
0.7665 Intermediate Similarity NPC105591
0.7663 Intermediate Similarity NPC477958
0.766 Intermediate Similarity NPC474240
0.7656 Intermediate Similarity NPC469393
0.7656 Intermediate Similarity NPC327005
0.765 Intermediate Similarity NPC56232
0.765 Intermediate Similarity NPC150123
0.765 Intermediate Similarity NPC244583
0.765 Intermediate Similarity NPC10807
0.765 Intermediate Similarity NPC161881
0.7647 Intermediate Similarity NPC269117
0.7647 Intermediate Similarity NPC273467
0.7647 Intermediate Similarity NPC189552
0.7644 Intermediate Similarity NPC478021
0.7644 Intermediate Similarity NPC313717
0.7644 Intermediate Similarity NPC241874
0.7644 Intermediate Similarity NPC315306
0.7641 Intermediate Similarity NPC265795
0.7637 Intermediate Similarity NPC202595
0.7637 Intermediate Similarity NPC477914
0.7637 Intermediate Similarity NPC470568
0.7637 Intermediate Similarity NPC147735
0.7634 Intermediate Similarity NPC324736
0.7634 Intermediate Similarity NPC85121
0.7634 Intermediate Similarity NPC186113
0.7632 Intermediate Similarity NPC6588
0.7632 Intermediate Similarity NPC117854
0.7632 Intermediate Similarity NPC477154
0.7632 Intermediate Similarity NPC260266
0.7632 Intermediate Similarity NPC472622
0.7629 Intermediate Similarity NPC476199
0.7629 Intermediate Similarity NPC476210
0.7622 Intermediate Similarity NPC478223
0.7619 Intermediate Similarity NPC478022
0.7619 Intermediate Similarity NPC478020
0.7619 Intermediate Similarity NPC293319

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC316164 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
0.873 High Similarity NPD8285 Discontinued
0.8469 Intermediate Similarity NPD7701 Phase 2
0.8223 Intermediate Similarity NPD8320 Phase 1
0.8223 Intermediate Similarity NPD8319 Approved
0.8112 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.8081 Intermediate Similarity NPD7696 Phase 3
0.8081 Intermediate Similarity NPD7697 Approved
0.8081 Intermediate Similarity NPD7698 Approved
0.802 Intermediate Similarity NPD6779 Approved
0.802 Intermediate Similarity NPD6776 Approved
0.802 Intermediate Similarity NPD6782 Approved
0.802 Intermediate Similarity NPD6780 Approved
0.802 Intermediate Similarity NPD6778 Approved
0.802 Intermediate Similarity NPD6777 Approved
0.802 Intermediate Similarity NPD6781 Approved
0.801 Intermediate Similarity NPD7699 Phase 2
0.801 Intermediate Similarity NPD7700 Phase 2
0.798 Intermediate Similarity NPD7783 Phase 2
0.798 Intermediate Similarity NPD7801 Approved
0.798 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.797 Intermediate Similarity NPD8151 Discontinued
0.795 Intermediate Similarity NPD7870 Phase 2
0.795 Intermediate Similarity NPD7871 Phase 2
0.7931 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7931 Intermediate Similarity NPD7874 Approved
0.7895 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7895 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD6534 Approved
0.7857 Intermediate Similarity NPD6535 Approved
0.785 Intermediate Similarity NPD6823 Phase 2
0.7793 Intermediate Similarity NPD8059 Phase 3
0.7793 Intermediate Similarity NPD8058 Clinical (unspecified phase)
0.7742 Intermediate Similarity NPD6959 Discontinued
0.7734 Intermediate Similarity NPD7211 Clinical (unspecified phase)
0.7716 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7716 Intermediate Similarity NPD6213 Phase 3
0.7716 Intermediate Similarity NPD6212 Phase 3
0.7677 Intermediate Similarity NPD4360 Phase 2
0.7677 Intermediate Similarity NPD4363 Phase 3
0.7635 Intermediate Similarity NPD7435 Discontinued
0.7577 Intermediate Similarity NPD8313 Approved
0.7577 Intermediate Similarity NPD8312 Approved
0.7576 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7568 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7559 Intermediate Similarity NPD7907 Approved
0.7554 Intermediate Similarity NPD6844 Discontinued
0.7541 Intermediate Similarity NPD4380 Phase 2
0.7539 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7513 Intermediate Similarity NPD5710 Approved
0.7513 Intermediate Similarity NPD5711 Approved
0.75 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7463 Intermediate Similarity NPD4361 Phase 2
0.7463 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7462 Intermediate Similarity NPD8150 Discontinued
0.7451 Intermediate Similarity NPD2493 Approved
0.7451 Intermediate Similarity NPD2494 Approved
0.7441 Intermediate Similarity NPD7930 Approved
0.7435 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7435 Intermediate Similarity NPD6166 Phase 2
0.7435 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD7819 Suspended
0.7405 Intermediate Similarity NPD5890 Approved
0.7405 Intermediate Similarity NPD5889 Approved
0.7391 Intermediate Similarity NPD3226 Approved
0.7383 Intermediate Similarity NPD4665 Approved
0.7383 Intermediate Similarity NPD4111 Phase 1
0.7374 Intermediate Similarity NPD5037 Approved
0.7374 Intermediate Similarity NPD5038 Approved
0.7366 Intermediate Similarity NPD3452 Approved
0.7366 Intermediate Similarity NPD3450 Approved
0.7358 Intermediate Similarity NPD7177 Discontinued
0.7356 Intermediate Similarity NPD7584 Approved
0.7343 Intermediate Similarity NPD4583 Approved
0.7343 Intermediate Similarity NPD4582 Approved
0.734 Intermediate Similarity NPD2975 Approved
0.734 Intermediate Similarity NPD2974 Approved
0.734 Intermediate Similarity NPD2973 Approved
0.7326 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7323 Intermediate Similarity NPD5036 Approved
0.732 Intermediate Similarity NPD7054 Approved
0.7306 Intermediate Similarity NPD7473 Discontinued
0.7302 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7302 Intermediate Similarity NPD7075 Discontinued
0.7299 Intermediate Similarity NPD5676 Approved
0.7296 Intermediate Similarity NPD7038 Approved
0.7296 Intermediate Similarity NPD7039 Approved
0.7295 Intermediate Similarity NPD4004 Approved
0.7295 Intermediate Similarity NPD4002 Approved
0.7282 Intermediate Similarity NPD7074 Phase 3
0.7282 Intermediate Similarity NPD7472 Approved
0.7273 Intermediate Similarity NPD6973 Clinical (unspecified phase)
0.7268 Intermediate Similarity NPD7811 Phase 3
0.7268 Intermediate Similarity NPD7810 Phase 3
0.7259 Intermediate Similarity NPD7808 Phase 3
0.7258 Intermediate Similarity NPD6585 Discontinued
0.7254 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD5619 Clinical (unspecified phase)
0.724 Intermediate Similarity NPD6232 Discontinued
0.7233 Intermediate Similarity NPD4580 Approved
0.7231 Intermediate Similarity NPD5844 Phase 1
0.7225 Intermediate Similarity NPD7999 Approved
0.7219 Intermediate Similarity NPD7411 Suspended
0.7214 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7212 Intermediate Similarity NPD7497 Discontinued
0.7208 Intermediate Similarity NPD7251 Discontinued
0.7204 Intermediate Similarity NPD2649 Approved
0.7204 Intermediate Similarity NPD2651 Approved
0.7202 Intermediate Similarity NPD6997 Phase 2
0.7184 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7181 Intermediate Similarity NPD1934 Approved
0.7178 Intermediate Similarity NPD2488 Approved
0.7178 Intermediate Similarity NPD2490 Approved
0.7178 Intermediate Similarity NPD3808 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD4954 Approved
0.7172 Intermediate Similarity NPD4955 Approved
0.7172 Intermediate Similarity NPD5028 Approved
0.7172 Intermediate Similarity NPD5034 Approved
0.7172 Intermediate Similarity NPD36 Approved
0.7172 Intermediate Similarity NPD5026 Approved
0.7164 Intermediate Similarity NPD7906 Approved
0.7163 Intermediate Similarity NPD3057 Approved
0.7163 Intermediate Similarity NPD7047 Phase 3
0.7158 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7157 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7157 Intermediate Similarity NPD6797 Phase 2
0.7157 Intermediate Similarity NPD3823 Discontinued
0.7156 Intermediate Similarity NPD7585 Approved
0.7143 Intermediate Similarity NPD42 Phase 2
0.7143 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD6042 Phase 2
0.7136 Intermediate Similarity NPD4420 Approved
0.7135 Intermediate Similarity NPD5494 Approved
0.7122 Intermediate Similarity NPD7667 Clinical (unspecified phase)
0.7121 Intermediate Similarity NPD5031 Approved
0.7121 Intermediate Similarity NPD6559 Discontinued
0.7121 Intermediate Similarity NPD5029 Approved
0.7121 Intermediate Similarity NPD5030 Phase 2
0.7121 Intermediate Similarity NPD5027 Approved
0.7114 Intermediate Similarity NPD3863 Clinical (unspecified phase)
0.7109 Intermediate Similarity NPD7583 Approved
0.7104 Intermediate Similarity NPD8491 Approved
0.7101 Intermediate Similarity NPD7565 Approved
0.71 Intermediate Similarity NPD8053 Approved
0.71 Intermediate Similarity NPD8054 Approved
0.7092 Intermediate Similarity NPD3818 Discontinued
0.709 Intermediate Similarity NPD6801 Discontinued
0.7081 Intermediate Similarity NPD3533 Approved
0.7081 Intermediate Similarity NPD5005 Approved
0.7081 Intermediate Similarity NPD5006 Approved
0.7081 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD2972 Approved
0.7081 Intermediate Similarity NPD2491 Approved
0.7078 Intermediate Similarity NPD8366 Approved
0.7076 Intermediate Similarity NPD8461 Discontinued
0.7072 Intermediate Similarity NPD8469 Approved
0.7053 Intermediate Similarity NPD2801 Approved
0.7051 Intermediate Similarity NPD8404 Phase 2
0.705 Intermediate Similarity NPD5035 Approved
0.705 Intermediate Similarity NPD3534 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD7048 Phase 3
0.7047 Intermediate Similarity NPD4666 Phase 3
0.7035 Intermediate Similarity NPD5039 Approved
0.702 Intermediate Similarity NPD4956 Approved
0.7 Intermediate Similarity NPD3448 Approved
0.7 Intermediate Similarity NPD5032 Approved
0.7 Intermediate Similarity NPD7577 Discontinued
0.7 Intermediate Similarity NPD8453 Clinical (unspecified phase)
0.6995 Remote Similarity NPD5709 Phase 3
0.699 Remote Similarity NPD4575 Clinical (unspecified phase)
0.699 Remote Similarity NPD7784 Clinical (unspecified phase)
0.6989 Remote Similarity NPD4662 Approved
0.6989 Remote Similarity NPD2532 Approved
0.6989 Remote Similarity NPD2533 Approved
0.6989 Remote Similarity NPD2534 Approved
0.6989 Remote Similarity NPD4661 Approved
0.6979 Remote Similarity NPD4581 Clinical (unspecified phase)
0.6978 Remote Similarity NPD2346 Discontinued
0.6966 Remote Similarity NPD8153 Approved
0.6966 Remote Similarity NPD8152 Approved
0.6965 Remote Similarity NPD2971 Approved
0.6965 Remote Similarity NPD2968 Approved
0.6961 Remote Similarity NPD6836 Approved
0.6947 Remote Similarity NPD6385 Approved
0.6947 Remote Similarity NPD6386 Approved
0.6946 Remote Similarity NPD4663 Approved
0.694 Remote Similarity NPD1549 Phase 2
0.6939 Remote Similarity NPD5242 Approved
0.6934 Remote Similarity NPD4040 Phase 1
0.6931 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6927 Remote Similarity NPD5402 Approved
0.6927 Remote Similarity NPD5616 Clinical (unspecified phase)
0.6919 Remote Similarity NPD3751 Discontinued
0.6919 Remote Similarity NPD2163 Approved
0.6919 Remote Similarity NPD8162 Phase 2
0.6919 Remote Similarity NPD8163 Clinical (unspecified phase)
0.6915 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6902 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6898 Remote Similarity NPD7447 Phase 1
0.6893 Remote Similarity NPD5968 Phase 3

Structure

External Identifiers

PubChem CID   5359060
ChEMBL   CHEMBL1988097
ZINC  

Physicochemical Properties

Molecular Weight:  688.34
ALogP:  -0.417
MLogP:  4.54
XLogP:  2.275
# Rotatable Bonds:  18
Polar Surface Area:  146.07
# H-Bond Aceptor:  9
# H-Bond Donor:  3
# Rings:  6
# Heavy Atoms:  50

Download Data

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