Natural Product: NPC82483

Natural Product ID:  NPC82483
Common Name:   Combretastatin A-1
IUPAC Name:   3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol
Synonyms:   NSC-600032
Molecular Formula:   C18H20O6
Standard InCHIKey:  YUSYSJSHVJULID-WAYWQWQTSA-N
Standard InCHI:  InChI=1S/C18H20O6/c1-21-13-8-7-12(16(19)17(13)20)6-5-11-9-14(22-2)18(24-4)15(10-11)23-3/h5-10,19-20H,1-4H3/b6-5-
Canonical SMILES:  COc1cc(/C=Cc2ccc(c(c2O)O)OC)cc(c1OC)OC
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
NPO32832 combretum caffrum Species Combretaceae Eukaryota PMID[3598594]
NPO32832 combretum caffrum Species Combretaceae Eukaryota PMID[19228038]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT380 Cell Line U-251 Homo sapiens GI50 75.86 nM 11908989
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae IC50 = 80.1 ug/ml 24042007
NPT406 Cell Line RXF 393 Homo sapiens GI50 35.89 nM 15568791
NPT2 Others Unspecified IC50 > 100000 nM 2153829
NPT396 Cell Line T47D Homo sapiens GI50 49888.45 nM 2362284
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 4365.16 nM 16203143
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 100 ug disk-1 12350153
NPT4461 Cell Line Panel (Carcinoma cell lines) Homo sapiens GI50 = 16.2 nM 16933872
NPT386 Cell Line KM12 Homo sapiens GI50 65.77 nM 18327911
NPT401 Cell Line 786-0 Homo sapiens GI50 690.24 nM 23044367
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 14.83 nM 12398547
NPT575 Cell Line KM-20L2 Homo sapiens GI50 8933.05 nM 10479311
NPT384 Cell Line TK-10 Homo sapiens GI50 2924.15 nM 17125239
NPT391 Cell Line HCC 2998 Homo sapiens GI50 165.58 nM 21856049
NPT2 Others Unspecified Activity = 2.2 % 7562925
NPT575 Cell Line KM-20L2 Homo sapiens GI50 = 0.061 ug/ml 10543891
NPT90 Cell Line DU-145 Homo sapiens GI50 = 0.17 ug/ml 10543891
NPT1081 Cell Line BXPC-3 Homo sapiens GI50 = 4.4 ug/ml 10543891
NPT168 Cell Line P388 Mus musculus GI50 = 0.3 ug/ml 10543891
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 75.68 nM 19075057
NPT390 Cell Line LOX IMVI Homo sapiens GI50 119.4 nM 16472241
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 = 38.4 nM 21353349
NPT397 Cell Line NCI-H460 Homo sapiens GI50 = 15.3 nM 21353349
NPT458 Cell Line IGROV-1 Homo sapiens GI50 1573.98 nM Open TG-GATES in vivo data: Organ Weight
NPT137 Cell Line L1210 Mus musculus Activity = 25 % Open TG-GATES in vivo data: Biochemistry
NPT403 Cell Line UACC-257 Homo sapiens GI50 58.21 nM DrugMatrix in vivo data: Pathology
NPT168 Cell Line P388 Mus musculus ED50 = 0.251 ug/ml 11606389
NPT368 Cell Line SN12C Homo sapiens GI50 255.86 nM 8984155
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae IC50 = 18 ug/ml 20189399
NPT3702 Individual Protein DNA topoisomerase 1 Saccharomyces cerevisiae S288c IC50 = 1.6 ug/ml 20189399
NPT3702 Individual Protein DNA topoisomerase 1 Saccharomyces cerevisiae S288c IC50 = 1.9 ug/ml 20189399
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae IC50 = 1.8 ug/ml 20189399
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae IC50 = 53 ug/ml 20189399
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae IC12 = 2.2 ug/ml 20189399
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae IC12 = 33.5 ug/ml 3572419
NPT83 Cell Line MCF7 Homo sapiens GI50 10 nM 16562838
NPT1081 Cell Line BXPC-3 Homo sapiens GI50 = 4.4 ug/ml 25412141
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 259.42 nM 17585753
NPT576 Cell Line DMS-114 Homo sapiens GI50 104.23 nM PubChem BioAssay data set
NPT2 Others Unspecified Inhibition = 0 % DailyMed
NPT168 Cell Line P388 Mus musculus ED50 = 0.99 ug/ml DailyMed
NPT168 Cell Line P388 Mus musculus Activity = 26 % DailyMed
NPT395 Cell Line SF-268 Homo sapiens GI50 66.53 nM 24328302
NPT2 Others Unspecified IC50 = 1900 nM 15787436
NPT371 Cell Line UO-31 Homo sapiens GI50 909.91 nM 15844943
NPT397 Cell Line NCI-H460 Homo sapiens IC50 = 1800 nM 10924160
NPT387 Cell Line M14 Homo sapiens GI50 95.28 nM 8759172
NPT399 Cell Line SF-295 Homo sapiens GI50 50 nM 17049251
NPT137 Cell Line L1210 Mus musculus IC50 = 600 nM 1955885
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 68.23 nM 26295746
NPT111 Cell Line K562 Homo sapiens GI50 50 nM 15387655
NPT90 Cell Line DU-145 Homo sapiens GI50 = 13 nM 14738403
NPT397 Cell Line NCI-H460 Homo sapiens GI50 = 46 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 237.68 nM 16854066
NPT397 Cell Line NCI-H460 Homo sapiens GI50 = 740 nM 10.6019/CHEMBL1201861
NPT83 Cell Line MCF7 Homo sapiens IC50 = 75900 nM 21534539
NPT552 Cell Line P388/ADR Mus musculus GI50 138.68 nM 12502317
NPT375 Cell Line Malme-3M Homo sapiens GI50 677.64 nM 2128517
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 45.08 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 110.92 nM 12852960
NPT2 Others Unspecified GI50 = 16.2 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 68.5 ug 22939698
NPT2 Others Unspecified Inhibition = 3 % 20801553
NPT2 Others Unspecified ID50 = 2 nM 18955526
NPT2 Others Unspecified IC50 = 1100 nM 20421396
NPT81 Cell Line A549 Homo sapiens GI50 178.24 nM 19506058
NPT2 Others Unspecified IC50 = 1900 nM 21078949
NPT370 Cell Line NCI-H23 Homo sapiens GI50 41.78 nM 22194678
NPT392 Cell Line SNB-75 Homo sapiens GI50 1306.17 nM 22264752
NPT455 Cell Line NCI-H522 Homo sapiens GI50 94.19 nM 10.1007/s00044-013-0840-9
NPT168 Cell Line P388 Mus musculus ED50 = 0.2 ug/ml 10.1007/s00044-013-0720-3
NPT572 Cell Line DMS-273 Homo sapiens GI50 50 nM 24508829
NPT404 Cell Line CCRF-CEM Homo sapiens IC50 > 100000 nM 18494522
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 10 nM 23327794
NPT139 Cell Line HT-29 Homo sapiens IC50 = 900 nM 25028062
NPT573 Cell Line M19-MEL Homo sapiens GI50 330.37 nM 20553004
NPT577 Cell Line RXF 631 Homo sapiens GI50 14757.07 nM 23734744
NPT116 Cell Line HL-60 Homo sapiens GI50 69.82 nM 15620248
NPT393 Cell Line HCT-116 Homo sapiens GI50 80.72 nM 23434131
NPT405 Cell Line NCI-H226 Homo sapiens GI50 264.85 nM 9514009
NPT407 Cell Line COLO 205 Homo sapiens GI50 6652.73 nM 17844994
NPT731 Cell Line LXFL 529 Homo sapiens GI50 610.94 nM 17542634
NPT398 Cell Line UACC-62 Homo sapiens GI50 39.36 nM 11277747
NPT575 Cell Line KM-20L2 Homo sapiens GI50 = 0.061 ug/ml 10.1016/S0960-894X(97)00060-7
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 50 ug 11602674
NPT1522 Organism Neisseria gonorrhoeae Neisseria gonorrhoeae MIC = 25 ug 15781124
NPT2 Others Unspecified Activity = 89 % DrugMatrix in vitro pharmacology data
NPT2 Others Unspecified Activity = 99.6 % DrugMatrix in vitro pharmacology data
NPT781 Individual Protein Tubulin alpha chain Sus scrofa Inhibition = 99.6 % 10.6019/CHEMBL1201861
NPT781 Individual Protein Tubulin alpha chain Sus scrofa IC50 = 1100 nM 10.6019/CHEMBL1201861
NPT397 Cell Line NCI-H460 Homo sapiens GI50 = 0.74 ug/ml Open TG-GATES in vivo data: Biochemistry
NPT578 Cell Line SNB-78 Homo sapiens GI50 95.28 nM DrugMatrix in vivo data: Hematology
NPT374 Cell Line SF-539 Homo sapiens GI50 22.65 nM 24262885
NPT2 Others Unspecified IC50 = 4000 nM 21051535
NPT383 Cell Line SNB-19 Homo sapiens GI50 27.67 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 10.3 nM 25211032
NPT1216 Cell Line FaDu Homo sapiens GI50 = 0.23 ug/ml 15217270
NPT397 Cell Line NCI-H460 Homo sapiens GI50 = 0.74 ug/ml 20429578
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 2197.86 nM 20307086
NPT394 Cell Line EKVX Homo sapiens GI50 1986.09 nM 10757713
NPT385 Cell Line SR Homo sapiens GI50 2065.38 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 10 nM 12036352
NPT1522 Organism Neisseria gonorrhoeae Neisseria gonorrhoeae MIC = 50 ug disk-1 18805693
NPT1081 Cell Line BXPC-3 Homo sapiens GI50 = 4400 nM 24900509
NPT148 Cell Line HCT-15 Homo sapiens GI50 43.45 nM 14987072
NPT367 Cell Line MDA-N Homo sapiens GI50 10 nM 25856683
NPT575 Cell Line KM-20L2 Homo sapiens GI50 = 61 nM 11975502
NPT397 Cell Line NCI-H460 Homo sapiens GI50 = 0.74 ug/ml 18303851
NPT388 Cell Line NCI-H322M Homo sapiens GI50 69.66 nM 24087924
NPT737 Cell Line HUVEC Homo sapiens IC50 = 2.6 nM 20303767
NPT737 Cell Line HUVEC Homo sapiens IC50 = 4.1 nM 20303767
NPT323 Cell Line SW-620 Homo sapiens GI50 64.27 nM 16643036
NPT168 Cell Line P388 Mus musculus GI50 52.48 nM 23964704
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 88.1 nM 10212132
NPT90 Cell Line DU-145 Homo sapiens GI50 = 32.6 nM 23747224
NPT112 Cell Line MOLT-4 Homo sapiens GI50 78.52 nM 8277313
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 47.21 nM 17353252
NPT139 Cell Line HT-29 Homo sapiens GI50 7030.72 nM 18809939
NPT738 Cell Line SN12K1 Homo sapiens GI50 50 nM DrugMatrix in vitro pharmacology data
NPT90 Cell Line DU-145 Homo sapiens GI50 = 510 nM 23587837
NPT397 Cell Line NCI-H460 Homo sapiens GI50 = 2200 nM 23587837
NPT397 Cell Line NCI-H460 Homo sapiens GI50 46.34 nM 22377672
NPT2 Others Unspecified IC50 = 3200 nM 8786366
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 50 nM 18302334
NPT29 Organism Rattus norvegicus Rattus norvegicus IC50 = 0.63 nM 16616488
NPT168 Cell Line P388 Mus musculus ED50 = 0.3 ug/ml PubChem BioAssay data set
NPT579 Cell Line DLD-1 Homo sapiens GI50 122.74 nM DrugMatrix in vitro pharmacology data
NPT397 Cell Line NCI-H460 Homo sapiens GI50 = 15 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 112.2 nM DrugMatrix in vivo data: Hematology
NPT457 Cell Line BT-549 Homo sapiens GI50 22.34 nM 17118653
NPT369 Cell Line ACHN Homo sapiens GI50 202.77 nM 9873651
NPT1081 Cell Line BXPC-3 Homo sapiens GI50 = 4.4 ug/ml 18183025
NPT3014 Protein Family Tubulin Sus scrofa IC50 = 3500 nM 24216090
NPT379 Cell Line HOP-62 Homo sapiens GI50 89.33 nM 24164206
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 5407.54 nM 23434636
NPT732 Cell Line HOP-18 Homo sapiens GI50 26424.09 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 60.58 ug 20498323
NPT90 Cell Line DU-145 Homo sapiens GI50 = 0.17 ug/ml 19687244
NPT90 Cell Line DU-145 Homo sapiens GI50 = 170 nM DrugMatrix in vitro pharmacology data
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 154.53 nM 22705001
NPT574 Cell Line XF498 Homo sapiens GI50 55.08 nM 15104496
NPT90 Cell Line DU-145 Homo sapiens GI50 = 33 nM 21130542
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 = 38 nM 14987059
NPT2 Others Unspecified IC50 = 1100 nM 26686929
NPT90 Cell Line DU-145 Homo sapiens GI50 = 0.17 ug/ml 15497935
NPT90 Cell Line DU-145 Homo sapiens GI50 12.74 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 NPC82483 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 NPC265483
1.0 High Similarity NPC299584
0.9916 High Similarity NPC44748
0.9916 High Similarity NPC28730
0.9916 High Similarity NPC78974
0.9916 High Similarity NPC214406
0.9916 High Similarity NPC223136
0.9916 High Similarity NPC18924
0.9916 High Similarity NPC103823
0.9833 High Similarity NPC169474
0.9833 High Similarity NPC159968
0.9833 High Similarity NPC74817
0.9833 High Similarity NPC124452
0.9833 High Similarity NPC236791
0.9833 High Similarity NPC293054
0.9833 High Similarity NPC282000
0.9833 High Similarity NPC82679
0.9833 High Similarity NPC246620
0.9833 High Similarity NPC324112
0.9832 High Similarity NPC234400
0.9832 High Similarity NPC60885
0.9831 High Similarity NPC95168
0.9746 High Similarity NPC71579
0.9746 High Similarity NPC262253
0.9746 High Similarity NPC473411
0.9672 High Similarity NPC58164
0.9672 High Similarity NPC10225
0.9667 High Similarity NPC221077
0.9667 High Similarity NPC251855
0.9667 High Similarity NPC57490
0.9667 High Similarity NPC208950
0.9667 High Similarity NPC233410
0.9667 High Similarity NPC116907
0.9667 High Similarity NPC117214
0.9667 High Similarity NPC203133
0.9667 High Similarity NPC193544
0.9667 High Similarity NPC475169
0.9667 High Similarity NPC298757
0.9667 High Similarity NPC472093
0.9667 High Similarity NPC105925
0.9667 High Similarity NPC17943
0.9661 High Similarity NPC75713
0.9593 High Similarity NPC234488
0.9593 High Similarity NPC299221
0.9593 High Similarity NPC311680
0.9593 High Similarity NPC126836
0.9593 High Similarity NPC51840
0.959 High Similarity NPC154866
0.959 High Similarity NPC28765
0.9576 High Similarity NPC166759
0.9512 High Similarity NPC212015
0.9508 High Similarity NPC252131
0.9508 High Similarity NPC266555
0.9508 High Similarity NPC210355
0.9508 High Similarity NPC236760
0.9508 High Similarity NPC127587
0.95 High Similarity NPC282496
0.95 High Similarity NPC197757
0.95 High Similarity NPC136319
0.95 High Similarity NPC121115
0.95 High Similarity NPC228922
0.95 High Similarity NPC233526
0.9492 High Similarity NPC247364
0.9492 High Similarity NPC474565
0.9492 High Similarity NPC232084
0.9492 High Similarity NPC61516
0.9492 High Similarity NPC10932
0.944 High Similarity NPC6451
0.9435 High Similarity NPC214860
0.9431 High Similarity NPC98631
0.9431 High Similarity NPC206615
0.9431 High Similarity NPC186843
0.9431 High Similarity NPC266691
0.9431 High Similarity NPC470213
0.9426 High Similarity NPC223953
0.9426 High Similarity NPC76451
0.9421 High Similarity NPC183446
0.9417 High Similarity NPC41562
0.9407 High Similarity NPC226629
0.9365 High Similarity NPC471391
0.9365 High Similarity NPC475840
0.9365 High Similarity NPC471390
0.9365 High Similarity NPC229442
0.9365 High Similarity NPC168059
0.9365 High Similarity NPC32778
0.9365 High Similarity NPC36661
0.936 High Similarity NPC12275
0.936 High Similarity NPC232275
0.936 High Similarity NPC474356
0.936 High Similarity NPC45715
0.9355 High Similarity NPC476968
0.9355 High Similarity NPC45824
0.9355 High Similarity NPC170844
0.9291 High Similarity NPC317380
0.9286 High Similarity NPC86655
0.9286 High Similarity NPC202762
0.9286 High Similarity NPC127624
0.928 High Similarity NPC91291
0.928 High Similarity NPC192687
0.928 High Similarity NPC224157
0.928 High Similarity NPC472338
0.9262 High Similarity NPC228972
0.9262 High Similarity NPC122792
0.9262 High Similarity NPC5796
0.9262 High Similarity NPC206487
0.9244 High Similarity NPC20674
0.9237 High Similarity NPC259638
0.9219 High Similarity NPC108198
0.9219 High Similarity NPC474206
0.9219 High Similarity NPC158142
0.9219 High Similarity NPC472337
0.9219 High Similarity NPC94750
0.9219 High Similarity NPC69029
0.9219 High Similarity NPC200557
0.9219 High Similarity NPC121812
0.9219 High Similarity NPC313081
0.9219 High Similarity NPC112246
0.9219 High Similarity NPC10314
0.9219 High Similarity NPC256262
0.9219 High Similarity NPC294884
0.9219 High Similarity NPC112939
0.9219 High Similarity NPC470356
0.9206 High Similarity NPC472597
0.9206 High Similarity NPC474017
0.9206 High Similarity NPC470096
0.9206 High Similarity NPC15543
0.9206 High Similarity NPC470095
0.92 High Similarity NPC470633
0.92 High Similarity NPC469963
0.92 High Similarity NPC228769
0.92 High Similarity NPC190144
0.92 High Similarity NPC469951
0.9194 High Similarity NPC216836
0.9194 High Similarity NPC242032
0.9194 High Similarity NPC470699
0.918 High Similarity NPC84086
0.9174 High Similarity NPC145780
0.9174 High Similarity NPC49341
0.9167 High Similarity NPC229401
0.9153 High Similarity NPC203113
0.9153 High Similarity NPC123948
0.9153 High Similarity NPC193067
0.9147 High Similarity NPC143139
0.9147 High Similarity NPC202846
0.9147 High Similarity NPC16435
0.9147 High Similarity NPC248727
0.9147 High Similarity NPC265433
0.9147 High Similarity NPC270456
0.9147 High Similarity NPC227503
0.9147 High Similarity NPC230734
0.9147 High Similarity NPC474639
0.9147 High Similarity NPC306441
0.9147 High Similarity NPC472334
0.9147 High Similarity NPC162659
0.9147 High Similarity NPC472336
0.9141 High Similarity NPC289258
0.9141 High Similarity NPC276026
0.9141 High Similarity NPC206737
0.9141 High Similarity NPC56764
0.9141 High Similarity NPC209199
0.9141 High Similarity NPC125649
0.9141 High Similarity NPC469659
0.9141 High Similarity NPC555
0.9141 High Similarity NPC7515
0.9141 High Similarity NPC188378
0.9134 High Similarity NPC160991
0.9134 High Similarity NPC16208
0.9134 High Similarity NPC184447
0.9134 High Similarity NPC7903
0.9134 High Similarity NPC201587
0.9134 High Similarity NPC35932
0.9134 High Similarity NPC253105
0.9127 High Similarity NPC474481
0.9113 High Similarity NPC181361
0.9113 High Similarity NPC112596
0.9083 High Similarity NPC475961
0.9083 High Similarity NPC254625
0.9077 High Similarity NPC6262
0.9077 High Similarity NPC107551
0.9077 High Similarity NPC276490
0.9077 High Similarity NPC211549
0.9077 High Similarity NPC474282
0.9077 High Similarity NPC326797
0.9077 High Similarity NPC102904
0.9077 High Similarity NPC90615
0.9077 High Similarity NPC176051
0.9077 High Similarity NPC73535
0.9077 High Similarity NPC103976
0.9077 High Similarity NPC272157
0.9077 High Similarity NPC56329
0.9077 High Similarity NPC242715
0.9077 High Similarity NPC201145
0.9077 High Similarity NPC25111
0.907 High Similarity NPC180602
0.907 High Similarity NPC241241
0.907 High Similarity NPC214853
0.907 High Similarity NPC234333
0.907 High Similarity NPC61946
0.907 High Similarity NPC55239
0.907 High Similarity NPC47398

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC82483 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
0.9355 High Similarity NPD3027 Phase 3
0.8968 High Similarity NPD1529 Clinical (unspecified phase)
0.8889 High Similarity NPD1530 Clinical (unspecified phase)
0.8889 High Similarity NPD3018 Phase 2
0.8837 High Similarity NPD1613 Approved
0.8837 High Similarity NPD1612 Clinical (unspecified phase)
0.872 High Similarity NPD2983 Phase 2
0.872 High Similarity NPD2982 Phase 2
0.864 High Similarity NPD2981 Phase 2
0.8571 High Similarity NPD228 Approved
0.8425 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.8279 Intermediate Similarity NPD5283 Phase 1
0.8244 Intermediate Similarity NPD4908 Phase 1
0.824 Intermediate Similarity NPD1548 Phase 1
0.8175 Intermediate Similarity NPD3540 Phase 1
0.8125 Intermediate Similarity NPD1610 Phase 2
0.812 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.8102 Intermediate Similarity NPD3539 Phase 1
0.8082 Intermediate Similarity NPD2801 Approved
0.8014 Intermediate Similarity NPD1934 Approved
0.7973 Intermediate Similarity NPD3882 Suspended
0.7951 Intermediate Similarity NPD3021 Approved
0.7951 Intermediate Similarity NPD3022 Approved
0.791 Intermediate Similarity NPD4625 Phase 3
0.7881 Intermediate Similarity NPD1242 Phase 1
0.7874 Intermediate Similarity NPD5536 Phase 2
0.7868 Intermediate Similarity NPD1558 Phase 1
0.7863 Intermediate Similarity NPD4749 Approved
0.7862 Intermediate Similarity NPD1653 Approved
0.7838 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7832 Intermediate Similarity NPD4357 Discontinued
0.7832 Intermediate Similarity NPD1511 Approved
0.7727 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7724 Intermediate Similarity NPD1512 Approved
0.7721 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.771 Intermediate Similarity NPD422 Phase 1
0.7687 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7667 Intermediate Similarity NPD846 Approved
0.7667 Intermediate Similarity NPD940 Approved
0.7635 Intermediate Similarity NPD4678 Approved
0.7635 Intermediate Similarity NPD4675 Approved
0.7632 Intermediate Similarity NPD6234 Discontinued
0.763 Intermediate Similarity NPD2861 Phase 2
0.7616 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7615 Intermediate Similarity NPD1357 Approved
0.7613 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7613 Intermediate Similarity NPD6166 Phase 2
0.7613 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7609 Intermediate Similarity NPD3620 Phase 2
0.7609 Intermediate Similarity NPD4060 Phase 1
0.7609 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7591 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7576 Intermediate Similarity NPD3705 Approved
0.7576 Intermediate Similarity NPD1091 Approved
0.7569 Intermediate Similarity NPD2219 Phase 1
0.7569 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7552 Intermediate Similarity NPD3060 Approved
0.755 Intermediate Similarity NPD3817 Phase 2
0.7537 Intermediate Similarity NPD2922 Phase 1
0.7536 Intermediate Similarity NPD2674 Phase 3
0.7533 Intermediate Similarity NPD37 Approved
0.752 Intermediate Similarity NPD4750 Phase 3
0.7517 Intermediate Similarity NPD7124 Phase 2
0.75 Intermediate Similarity NPD290 Approved
0.7484 Intermediate Similarity NPD6232 Discontinued
0.7482 Intermediate Similarity NPD1240 Approved
0.7468 Intermediate Similarity NPD7054 Approved
0.7464 Intermediate Similarity NPD3144 Approved
0.7464 Intermediate Similarity NPD3145 Approved
0.7458 Intermediate Similarity NPD9296 Approved
0.7451 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.745 Intermediate Similarity NPD4005 Discontinued
0.7442 Intermediate Similarity NPD6671 Approved
0.744 Intermediate Similarity NPD2684 Approved
0.7429 Intermediate Similarity NPD230 Phase 1
0.7421 Intermediate Similarity NPD7074 Phase 3
0.7421 Intermediate Similarity NPD7472 Approved
0.7419 Intermediate Similarity NPD7199 Phase 2
0.7413 Intermediate Similarity NPD7266 Discontinued
0.7405 Intermediate Similarity NPD3818 Discontinued
0.7394 Intermediate Similarity NPD1510 Phase 2
0.7386 Intermediate Similarity NPD4966 Approved
0.7386 Intermediate Similarity NPD4965 Approved
0.7386 Intermediate Similarity NPD4967 Phase 2
0.7376 Intermediate Similarity NPD1607 Approved
0.7372 Intermediate Similarity NPD9494 Approved
0.7365 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7357 Intermediate Similarity NPD943 Approved
0.7347 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7344 Intermediate Similarity NPD7843 Approved
0.7342 Intermediate Similarity NPD7473 Discontinued
0.7338 Intermediate Similarity NPD4055 Discovery
0.7325 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7324 Intermediate Similarity NPD6111 Discontinued
0.7315 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7311 Intermediate Similarity NPD2934 Approved
0.7311 Intermediate Similarity NPD2933 Approved
0.731 Intermediate Similarity NPD4236 Phase 3
0.731 Intermediate Similarity NPD5177 Phase 3
0.731 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD4237 Approved
0.7308 Intermediate Similarity NPD7157 Approved
0.7297 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7297 Intermediate Similarity NPD4123 Phase 3
0.7297 Intermediate Similarity NPD7447 Phase 1
0.7296 Intermediate Similarity NPD7228 Approved
0.7292 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7285 Intermediate Similarity NPD4380 Phase 2
0.728 Intermediate Similarity NPD968 Approved
0.7279 Intermediate Similarity NPD8651 Approved
0.7267 Intermediate Similarity NPD6797 Phase 2
0.7255 Intermediate Similarity NPD1465 Phase 2
0.725 Intermediate Similarity NPD2859 Approved
0.725 Intermediate Similarity NPD2860 Approved
0.7241 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.723 Intermediate Similarity NPD7213 Phase 3
0.723 Intermediate Similarity NPD7212 Phase 2
0.723 Intermediate Similarity NPD6799 Approved
0.7222 Intermediate Similarity NPD2935 Discontinued
0.7222 Intermediate Similarity NPD6100 Approved
0.7222 Intermediate Similarity NPD7251 Discontinued
0.7222 Intermediate Similarity NPD6099 Approved
0.7214 Intermediate Similarity NPD5109 Approved
0.7214 Intermediate Similarity NPD5110 Phase 2
0.7214 Intermediate Similarity NPD5111 Phase 2
0.7213 Intermediate Similarity NPD3020 Approved
0.7211 Intermediate Similarity NPD6190 Approved
0.7195 Intermediate Similarity NPD8053 Approved
0.7195 Intermediate Similarity NPD8054 Approved
0.7194 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7192 Intermediate Similarity NPD1652 Phase 2
0.7192 Intermediate Similarity NPD6674 Discontinued
0.7181 Intermediate Similarity NPD1424 Approved
0.7178 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7178 Intermediate Similarity NPD7808 Phase 3
0.7174 Intermediate Similarity NPD6584 Phase 3
0.7172 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7164 Intermediate Similarity NPD4626 Approved
0.7143 Intermediate Similarity NPD2978 Approved
0.7143 Intermediate Similarity NPD3892 Phase 2
0.7143 Intermediate Similarity NPD2977 Approved
0.7143 Intermediate Similarity NPD7095 Approved
0.7143 Intermediate Similarity NPD3750 Approved
0.7143 Intermediate Similarity NPD5844 Phase 1
0.7124 Intermediate Similarity NPD5090 Approved
0.7124 Intermediate Similarity NPD5089 Approved
0.7123 Intermediate Similarity NPD1549 Phase 2
0.7115 Intermediate Similarity NPD7075 Discontinued
0.7114 Intermediate Similarity NPD5297 Approved
0.7113 Intermediate Similarity NPD2238 Phase 2
0.7109 Intermediate Similarity NPD5451 Approved
0.7105 Intermediate Similarity NPD6055 Clinical (unspecified phase)
0.7103 Intermediate Similarity NPD1551 Phase 2
0.7097 Intermediate Similarity NPD291 Approved
0.7097 Intermediate Similarity NPD6374 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD2677 Approved
0.7092 Intermediate Similarity NPD6798 Discontinued
0.7092 Intermediate Similarity NPD5718 Phase 2
0.7083 Intermediate Similarity NPD4536 Approved
0.7083 Intermediate Similarity NPD4538 Approved
0.7083 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD4162 Approved
0.7063 Intermediate Similarity NPD6355 Discontinued
0.7063 Intermediate Similarity NPD5124 Phase 1
0.7063 Intermediate Similarity NPD447 Suspended
0.7063 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7054 Intermediate Similarity NPD9280 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD6788 Approved
0.7045 Intermediate Similarity NPD709 Approved
0.7037 Intermediate Similarity NPD6516 Phase 2
0.7037 Intermediate Similarity NPD5846 Approved
0.7037 Intermediate Similarity NPD1778 Approved
0.7034 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.7032 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7029 Intermediate Similarity NPD3225 Approved
0.7027 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD5494 Approved
0.702 Intermediate Similarity NPD5261 Clinical (unspecified phase)
0.7014 Intermediate Similarity NPD4097 Suspended
0.7007 Intermediate Similarity NPD2233 Approved
0.7007 Intermediate Similarity NPD2230 Approved
0.7007 Intermediate Similarity NPD2232 Approved
0.7006 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.6993 Remote Similarity NPD7261 Clinical (unspecified phase)
0.6986 Remote Similarity NPD2796 Approved
0.6985 Remote Similarity NPD3496 Discontinued
0.6985 Remote Similarity NPD3847 Discontinued
0.698 Remote Similarity NPD5241 Discontinued
0.697 Remote Similarity NPD7549 Discontinued
0.6967 Remote Similarity NPD844 Approved
0.6966 Remote Similarity NPD6896 Approved
0.6966 Remote Similarity NPD6895 Approved
0.6957 Remote Similarity NPD6583 Phase 3
0.6957 Remote Similarity NPD6582 Phase 2
0.6954 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6953 Remote Similarity NPD1358 Approved
0.6949 Remote Similarity NPD9094 Approved

Structure

External Identifiers

PubChem CID   5458993
ChEMBL   CHEMBL36255
ZINC  

Physicochemical Properties

Molecular Weight:  332.13
ALogP:  -0.66
MLogP:  2.78
XLogP:  2.63
# Rotatable Bonds:  12
Polar Surface Area:  77.38
# H-Bond Aceptor:  0
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  24

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Structure MOL file  
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Biological Activities  
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