Natural Product: NPC123948

Natural Product ID:  NPC123948
Common Name:   (E)-3,4,3',5'-Tetramethoxystilbene
IUPAC Name:   1-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
Synonyms:   (E)-3,4,3',5'-Tetramethoxystilbene; (E)-3,5,30,40-Tetramethoxystilbene; (E)3,3',4,5'-Tetramethoxystilbene
Molecular Formula:   C18H20O4
Standard InCHIKey:  PTVAOGIYBMTHSN-AATRIKPKSA-N
Standard InCHI:  InChI=1S/C18H20O4/c1-19-15-9-14(10-16(12-15)20-2)6-5-13-7-8-17(21-3)18(11-13)22-4/h5-12H,1-4H3/b6-5+
Canonical SMILES:  COc1cc(/C=C/c2ccc(c(c2)OC)OC)cc(c1)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
NPO88 Rheum undulatum Species Polygonaceae Eukaryota Rhizomes PMID[10714491]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT384 Cell Line TK-10 Homo sapiens GI50 56104.8 nM 19743809
NPT383 Cell Line SNB-19 Homo sapiens GI50 84918.05 nM 19113967
NPT388 Cell Line NCI-H322M Homo sapiens GI50 37411.06 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 39536.66 nM 26636180
NPT366 Individual Protein Quinone reductase 2 Homo sapiens IC50 = 37100 nM 11754615
NPT306 Cell Line PC-3 Homo sapiens GI50 62661.39 nM 19105653
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 22855.99 nM 16872149
NPT148 Cell Line HCT-15 Homo sapiens GI50 7079.46 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 20749.14 nM 23411074
NPT116 Cell Line HL-60 Homo sapiens IC50 = 33300 nM 26083682
NPT81 Cell Line A549 Homo sapiens GI50 37757.22 nM 22276775
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 53210.83 nM 8133298
NPT407 Cell Line COLO 205 Homo sapiens GI50 19230.92 nM 23282083
NPT139 Cell Line HT-29 Homo sapiens ED50 > 25 nM 16413186
NPT83 Cell Line MCF7 Homo sapiens ED50 > 25 nM 16413186
NPT3958 Cell Line MLM ED50 > 25 nM 16413186
NPT373 Cell Line SK-MEL-5 Homo sapiens ED50 > 25 nM 16413186
NPT112 Cell Line MOLT-4 Homo sapiens GI50 46558.61 nM 22443262
NPT32 Organism Mus musculus Mus musculus IC50 = 28000 nM 20970331
NPT369 Cell Line ACHN Homo sapiens GI50 30478.95 nM 22365879
NPT2 Others Unspecified IC50 = 2810 nM 20403695
NPT370 Cell Line NCI-H23 Homo sapiens GI50 22855.99 nM 23252603
NPT398 Cell Line UACC-62 Homo sapiens GI50 19815.27 nM 10.6019/CHEMBL1201861
NPT916 Cell Line SK-MEL Homo sapiens IC50 = 60000 nM 24588105
NPT165 Cell Line HeLa Homo sapiens IC50 = 8000 nM 24613456
NPT660 Cell Line SW480 Homo sapiens Activity = 15 % 25993269
NPT2 Others Unspecified Ratio = 190 16038541
NPT2 Others Unspecified Ratio = 0.25 16038541
NPT1603 Individual Protein Cytochrome P450 1A1 Homo sapiens IC50 = 750 nM 15217276
NPT458 Cell Line IGROV-1 Homo sapiens GI50 46881.34 nM 17125218
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 36224.3 nM 8496706
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 83368.12 nM 17067176
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 23713.74 nM DrugMatrix in vitro pharmacology data
NPT405 Cell Line NCI-H226 Homo sapiens GI50 30199.52 nM 23445496
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 31988.95 nM 10.6019/CHEMBL1201861
NPT406 Cell Line RXF 393 Homo sapiens GI50 19633.6 nM 25768706
NPT386 Cell Line KM12 Homo sapiens GI50 15452.54 nM 2691635
NPT402 Cell Line Hs-578T Homo sapiens GI50 25822.6 nM 25136754
NPT368 Cell Line SN12C Homo sapiens GI50 31332.86 nM 21459003
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 39627.8 nM 10395505
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 39810.72 nM 18824363
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 25703.96 nM 23543830
NPT111 Cell Line K562 Homo sapiens GI50 41114.97 nM 23398362
NPT372 Cell Line HOP-92 Homo sapiens GI50 100000 nM 12193011
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 20892.96 nM 17402783
NPT375 Cell Line Malme-3M Homo sapiens GI50 49203.95 nM 21035339
NPT393 Cell Line HCT-116 Homo sapiens GI50 23067.47 nM 25237727
NPT397 Cell Line NCI-H460 Homo sapiens GI50 22181.96 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 19275.25 nM 1402961
NPT403 Cell Line UACC-257 Homo sapiens GI50 46344.69 nM 25918997
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 19010.78 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 2350 nM 8158165
NPT81 Cell Line A549 Homo sapiens Activity = 77.1 % 12193039
NPT660 Cell Line SW480 Homo sapiens Activity = 10 % 20439614
NPT660 Cell Line SW480 Homo sapiens Activity = 25 % 20439614
NPT83 Cell Line MCF7 Homo sapiens GI50 57016.43 nM 15920768
NPT396 Cell Line T47D Homo sapiens GI50 23604.78 nM DrugMatrix in vitro pharmacology data
NPT385 Cell Line SR Homo sapiens GI50 30902.95 nM 18183025
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 73620.71 nM 18183025
NPT81 Cell Line A549 Homo sapiens ED50 > 25 nM 18077363
NPT208 Individual Protein Cytochrome P450 1A2 Homo sapiens IC50 = 570000 nM 20031422
NPT390 Cell Line LOX IMVI Homo sapiens GI50 19860.95 nM 19105653
NPT457 Cell Line BT-549 Homo sapiens GI50 23713.74 nM 15165148
NPT1604 Individual Protein Cytochrome P450 1B1 Homo sapiens IC50 = 3000 nM 20050684
NPT392 Cell Line SNB-75 Homo sapiens GI50 34040.82 nM 18278870
NPT579 Cell Line DLD-1 Homo sapiens IC50 = 2860 nM 19223615
NPT455 Cell Line NCI-H522 Homo sapiens GI50 18836.49 nM 11087586
NPT374 Cell Line SF-539 Homo sapiens GI50 41304.75 nM 24673739
NPT179 Cell Line A2780 Homo sapiens IC50 = 2060 nM 17850214
NPT2 Others Unspecified IC50 = 2860 nM 23398362
NPT116 Cell Line HL-60 Homo sapiens IC50 = 33300 nM 19691309
NPT394 Cell Line EKVX Homo sapiens GI50 39902.49 nM 10096862
NPT2 Others Unspecified IC50 = 2460 nM 12444692
NPT886 Cell Line NIH3T3 Mus musculus IC50 = 3680 nM 12762798
NPT3962 Individual Protein Myc proto-oncogene protein Homo sapiens Inhibition < 40 % 22694318
NPT2 Others Unspecified Inhibition < 40 % 22694318
NPT2 Others Unspecified IC50 = 80000 nM 22694318
NPT3961 Individual Protein Forkhead box protein O1 Homo sapiens Inhibition < 40 % 22694318
NPT2 Others Unspecified Inhibition < 40 % 22703109
NPT2 Others Unspecified IC50 = 90000 nM 22703109
NPT399 Cell Line SF-295 Homo sapiens GI50 22181.96 nM 20430633
NPT660 Cell Line SW480 Homo sapiens IC50 = 100000 nM 8759172
NPT660 Cell Line SW480 Homo sapiens Activity = 50 % 25856683
NPT90 Cell Line DU-145 Homo sapiens GI50 45185.59 nM 24131240
NPT2 Others Unspecified Inhibition < 40 % 8229009
NPT379 Cell Line HOP-62 Homo sapiens GI50 63679.55 nM 17638695
NPT387 Cell Line M14 Homo sapiens GI50 28054.34 nM 20591538
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 76913.04 nM 18332172
NPT308 Cell Line CAKI-1 Homo sapiens GI50 32885.16 nM Open TG-GATES in vivo data: Hematology
NPT323 Cell Line SW-620 Homo sapiens GI50 28707.81 nM DrugMatrix in vivo data: Hematology
NPT2 Others Unspecified Activity = 101.3 % 25871540
NPT2 Others Unspecified Inhibition < 40 % 16792422
NPT371 Cell Line UO-31 Homo sapiens GI50 19098.53 nM 8229009
NPT83 Cell Line MCF7 Homo sapiens IC50 = 1890 nM 10.1016/j.cropro.2005.01.009
NPT380 Cell Line U-251 Homo sapiens GI50 24660.39 nM 10.1039/C0MD00241K
NPT165 Cell Line HeLa Homo sapiens Inhibition < 40 % 12828469
NPT165 Cell Line HeLa Homo sapiens IC50 = 100000 nM 12828469
NPT2 Others Unspecified IC50 = 80000 nM 12828469
NPT81 Cell Line A549 Homo sapiens IC50 = 3040 nM 16872140

  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 NPC123948 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
0.973 High Similarity NPC475961
0.973 High Similarity NPC254625
0.9558 High Similarity NPC472596
0.9558 High Similarity NPC166759
0.9537 High Similarity NPC203924
0.9474 High Similarity NPC477886
0.9469 High Similarity NPC474565
0.9391 High Similarity NPC262253
0.9391 High Similarity NPC71579
0.9391 High Similarity NPC473411
0.9391 High Similarity NPC261661
0.9381 High Similarity NPC15805
0.9364 High Similarity NPC204120
0.9352 High Similarity NPC82016
0.9352 High Similarity NPC165386
0.931 High Similarity NPC282496
0.931 High Similarity NPC233526
0.9259 High Similarity NPC245115
0.9167 High Similarity NPC35543
0.9153 High Similarity NPC203133
0.9153 High Similarity NPC105925
0.9153 High Similarity NPC251855
0.9153 High Similarity NPC117214
0.9153 High Similarity NPC472093
0.9153 High Similarity NPC299584
0.9153 High Similarity NPC57490
0.9153 High Similarity NPC116907
0.9153 High Similarity NPC193544
0.9153 High Similarity NPC221077
0.9153 High Similarity NPC475169
0.9153 High Similarity NPC17943
0.9153 High Similarity NPC298757
0.9153 High Similarity NPC208950
0.9153 High Similarity NPC82483
0.9153 High Similarity NPC265483
0.9153 High Similarity NPC233410
0.9138 High Similarity NPC75713
0.913 High Similarity NPC61516
0.913 High Similarity NPC10932
0.913 High Similarity NPC232084
0.913 High Similarity NPC247364
0.9076 High Similarity NPC244364
0.9076 High Similarity NPC285725
0.9076 High Similarity NPC112571
0.9076 High Similarity NPC78974
0.9076 High Similarity NPC50683
0.9076 High Similarity NPC223136
0.9076 High Similarity NPC18924
0.9076 High Similarity NPC214406
0.9076 High Similarity NPC28730
0.9076 High Similarity NPC103823
0.9076 High Similarity NPC44748
0.9052 High Similarity NPC199023
0.9043 High Similarity NPC308217
0.9043 High Similarity NPC226629
0.9035 High Similarity NPC304208
0.9035 High Similarity NPC52464
0.9 High Similarity NPC246620
0.9 High Similarity NPC324112
0.9 High Similarity NPC159968
0.9 High Similarity NPC210355
0.9 High Similarity NPC124452
0.9 High Similarity NPC194841
0.9 High Similarity NPC236791
0.9 High Similarity NPC74817
0.9 High Similarity NPC474119
0.9 High Similarity NPC293054
0.9 High Similarity NPC282000
0.9 High Similarity NPC242032
0.9 High Similarity NPC127587
0.9 High Similarity NPC82679
0.9 High Similarity NPC169474
0.8992 High Similarity NPC234400
0.8992 High Similarity NPC60885
0.8983 High Similarity NPC136319
0.8983 High Similarity NPC95168
0.8983 High Similarity NPC197757
0.8983 High Similarity NPC228922
0.8966 High Similarity NPC222175
0.8957 High Similarity NPC63083
0.8938 High Similarity NPC228287
0.8938 High Similarity NPC180508
0.8926 High Similarity NPC186843
0.8926 High Similarity NPC31707
0.8926 High Similarity NPC222127
0.8926 High Similarity NPC474623
0.8926 High Similarity NPC82862
0.8926 High Similarity NPC210674
0.8926 High Similarity NPC206615
0.8926 High Similarity NPC474651
0.8926 High Similarity NPC98631
0.8926 High Similarity NPC470213
0.8919 High Similarity NPC2682
0.8917 High Similarity NPC9891
0.8917 High Similarity NPC186845
0.8917 High Similarity NPC76451
0.8917 High Similarity NPC88297
0.8917 High Similarity NPC223953
0.8898 High Similarity NPC41562
0.8898 High Similarity NPC288238
0.887 High Similarity NPC259638
0.887 High Similarity NPC33271
0.8852 High Similarity NPC469963
0.8852 High Similarity NPC3439
0.8852 High Similarity NPC10225
0.8852 High Similarity NPC228769
0.8852 High Similarity NPC226788
0.8852 High Similarity NPC210623
0.8852 High Similarity NPC285339
0.8852 High Similarity NPC218856
0.8852 High Similarity NPC273295
0.8852 High Similarity NPC470633
0.8852 High Similarity NPC202582
0.8852 High Similarity NPC170844
0.8852 High Similarity NPC222004
0.8852 High Similarity NPC58164
0.8852 High Similarity NPC474227
0.8852 High Similarity NPC470258
0.8852 High Similarity NPC476968
0.8852 High Similarity NPC469951
0.8852 High Similarity NPC190629
0.885 High Similarity NPC165106
0.8843 High Similarity NPC8050
0.8843 High Similarity NPC202904
0.8843 High Similarity NPC471986
0.8843 High Similarity NPC473093
0.8843 High Similarity NPC189248
0.8843 High Similarity NPC473092
0.8824 High Similarity NPC108545
0.8814 High Similarity NPC145780
0.8803 High Similarity NPC229401
0.8793 High Similarity NPC474612
0.8783 High Similarity NPC193067
0.878 High Similarity NPC51840
0.878 High Similarity NPC299221
0.878 High Similarity NPC224157
0.878 High Similarity NPC472338
0.878 High Similarity NPC63574
0.878 High Similarity NPC234488
0.878 High Similarity NPC79184
0.878 High Similarity NPC311680
0.878 High Similarity NPC476399
0.878 High Similarity NPC192687
0.878 High Similarity NPC126836
0.878 High Similarity NPC307042
0.877 High Similarity NPC207702
0.877 High Similarity NPC154866
0.877 High Similarity NPC149008
0.877 High Similarity NPC54321
0.877 High Similarity NPC283114
0.877 High Similarity NPC281864
0.877 High Similarity NPC28765
0.877 High Similarity NPC328682
0.8761 High Similarity NPC280606
0.875 High Similarity NPC5796
0.875 High Similarity NPC206487
0.875 High Similarity NPC122792
0.875 High Similarity NPC228972
0.8739 High Similarity NPC194626
0.8739 High Similarity NPC270326
0.8718 High Similarity NPC20674
0.8718 High Similarity NPC119949
0.871 High Similarity NPC472597
0.871 High Similarity NPC470096
0.871 High Similarity NPC474017
0.871 High Similarity NPC469625
0.871 High Similarity NPC192255
0.871 High Similarity NPC470095
0.871 High Similarity NPC471983
0.871 High Similarity NPC149337
0.871 High Similarity NPC474238
0.871 High Similarity NPC469613
0.871 High Similarity NPC30043
0.871 High Similarity NPC473412
0.871 High Similarity NPC469698
0.8707 High Similarity NPC474933
0.8704 High Similarity NPC12714
0.8704 High Similarity NPC310905
0.8699 High Similarity NPC190144
0.8699 High Similarity NPC212015
0.8696 High Similarity NPC475815
0.8696 High Similarity NPC473264
0.8696 High Similarity NPC47194
0.8689 High Similarity NPC252131
0.8689 High Similarity NPC470699
0.8689 High Similarity NPC266555
0.8689 High Similarity NPC236760
0.8673 High Similarity NPC296920
0.8673 High Similarity NPC90520
0.8667 High Similarity NPC121115
0.8667 High Similarity NPC84086
0.8655 High Similarity NPC216929
0.8655 High Similarity NPC126935
0.8655 High Similarity NPC312713
0.8655 High Similarity NPC57268
0.8655 High Similarity NPC49341
0.8655 High Similarity NPC172676
0.8655 High Similarity NPC65933
0.8655 High Similarity NPC310373
0.864 High Similarity NPC160991

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC123948 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
0.9391 High Similarity NPD2981 Phase 2
0.931 High Similarity NPD2983 Phase 2
0.931 High Similarity NPD2982 Phase 2
0.9 High Similarity NPD3018 Phase 2
0.8852 High Similarity NPD3027 Phase 3
0.885 High Similarity NPD5283 Phase 1
0.8547 High Similarity NPD5536 Phase 2
0.8308 Intermediate Similarity NPD3539 Phase 1
0.8244 Intermediate Similarity NPD3540 Phase 1
0.8175 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.8095 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.8065 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.8062 Intermediate Similarity NPD1613 Approved
0.8062 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.8049 Intermediate Similarity NPD3705 Approved
0.8034 Intermediate Similarity NPD228 Approved
0.8 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7941 Intermediate Similarity NPD7124 Phase 2
0.7883 Intermediate Similarity NPD4357 Discontinued
0.7788 Intermediate Similarity NPD1242 Phase 1
0.7752 Intermediate Similarity NPD4908 Phase 1
0.7744 Intermediate Similarity NPD6111 Discontinued
0.7724 Intermediate Similarity NPD1548 Phase 1
0.7717 Intermediate Similarity NPD2922 Phase 1
0.7714 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7661 Intermediate Similarity NPD1357 Approved
0.7634 Intermediate Similarity NPD5109 Approved
0.7634 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7634 Intermediate Similarity NPD5110 Phase 2
0.7634 Intermediate Similarity NPD5111 Phase 2
0.7626 Intermediate Similarity NPD5297 Approved
0.7619 Intermediate Similarity NPD1610 Phase 2
0.7615 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7563 Intermediate Similarity NPD5451 Approved
0.7552 Intermediate Similarity NPD4678 Approved
0.7552 Intermediate Similarity NPD4675 Approved
0.7542 Intermediate Similarity NPD1358 Approved
0.7518 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD5718 Phase 2
0.7483 Intermediate Similarity NPD6055 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD7261 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD4005 Discontinued
0.7482 Intermediate Similarity NPD2219 Phase 1
0.7479 Intermediate Similarity NPD2684 Approved
0.7424 Intermediate Similarity NPD4625 Phase 3
0.7417 Intermediate Similarity NPD3022 Approved
0.7417 Intermediate Similarity NPD3021 Approved
0.7397 Intermediate Similarity NPD2801 Approved
0.7388 Intermediate Similarity NPD1558 Phase 1
0.7377 Intermediate Similarity NPD7843 Approved
0.7377 Intermediate Similarity NPD5535 Approved
0.7364 Intermediate Similarity NPD4749 Approved
0.736 Intermediate Similarity NPD1408 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD6896 Approved
0.7353 Intermediate Similarity NPD6895 Approved
0.7347 Intermediate Similarity NPD3817 Phase 2
0.7339 Intermediate Similarity NPD7157 Approved
0.7338 Intermediate Similarity NPD4237 Approved
0.7338 Intermediate Similarity NPD3060 Approved
0.7338 Intermediate Similarity NPD4236 Phase 3
0.7329 Intermediate Similarity NPD1934 Approved
0.7329 Intermediate Similarity NPD37 Approved
0.7328 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7324 Intermediate Similarity NPD1424 Approved
0.7311 Intermediate Similarity NPD3134 Approved
0.7302 Intermediate Similarity NPD7534 Approved
0.7302 Intermediate Similarity NPD7533 Approved
0.7297 Intermediate Similarity NPD3882 Suspended
0.7254 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD4055 Discovery
0.7248 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7244 Intermediate Similarity NPD1651 Approved
0.7231 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.723 Intermediate Similarity NPD6374 Clinical (unspecified phase)
0.7218 Intermediate Similarity NPD3537 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD422 Phase 1
0.7206 Intermediate Similarity NPD3657 Discovery
0.7203 Intermediate Similarity NPD4123 Phase 3
0.7181 Intermediate Similarity NPD4966 Approved
0.7181 Intermediate Similarity NPD4967 Phase 2
0.7181 Intermediate Similarity NPD4965 Approved
0.7181 Intermediate Similarity NPD6788 Approved
0.7174 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD1653 Approved
0.7162 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7153 Intermediate Similarity NPD1351 Approved
0.7153 Intermediate Similarity NPD1349 Approved
0.7153 Intermediate Similarity NPD1350 Approved
0.7152 Intermediate Similarity NPD5677 Discontinued
0.7152 Intermediate Similarity NPD5494 Approved
0.7143 Intermediate Similarity NPD4664 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD2861 Phase 2
0.7133 Intermediate Similarity NPD1511 Approved
0.7132 Intermediate Similarity NPD3620 Phase 2
0.7132 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7122 Intermediate Similarity NPD2796 Approved
0.7119 Intermediate Similarity NPD291 Approved
0.7119 Intermediate Similarity NPD846 Approved
0.7119 Intermediate Similarity NPD940 Approved
0.7111 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7111 Intermediate Similarity NPD3145 Approved
0.7111 Intermediate Similarity NPD3144 Approved
0.7109 Intermediate Similarity NPD5585 Approved
0.7107 Intermediate Similarity NPD290 Approved
0.7105 Intermediate Similarity NPD7199 Phase 2
0.7092 Intermediate Similarity NPD4162 Approved
0.7086 Intermediate Similarity NPD6234 Discontinued
0.7077 Intermediate Similarity NPD1091 Approved
0.7071 Intermediate Similarity NPD1375 Discontinued
0.7059 Intermediate Similarity NPD1726 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD6232 Discontinued
0.7059 Intermediate Similarity NPD4606 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD2674 Phase 3
0.7054 Intermediate Similarity NPD17 Approved
0.7054 Intermediate Similarity NPD6516 Phase 2
0.7054 Intermediate Similarity NPD5846 Approved
0.7045 Intermediate Similarity NPD8651 Approved
0.7043 Intermediate Similarity NPD9296 Approved
0.7043 Intermediate Similarity NPD2933 Approved
0.7043 Intermediate Similarity NPD2934 Approved
0.7042 Intermediate Similarity NPD6658 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD2669 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD7095 Approved
0.7034 Intermediate Similarity NPD1512 Approved
0.7034 Intermediate Similarity NPD5261 Clinical (unspecified phase)
0.7031 Intermediate Similarity NPD1182 Approved
0.7027 Intermediate Similarity NPD5090 Approved
0.7027 Intermediate Similarity NPD5089 Approved
0.7025 Intermediate Similarity NPD968 Approved
0.7021 Intermediate Similarity NPD2808 Discontinued
0.7015 Intermediate Similarity NPD9494 Approved
0.7014 Intermediate Similarity NPD6799 Approved
0.7013 Intermediate Similarity NPD3926 Phase 2
0.7013 Intermediate Similarity NPD5242 Approved
0.7013 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7008 Intermediate Similarity NPD3596 Phase 2
0.7007 Intermediate Similarity NPD4060 Phase 1
0.7007 Intermediate Similarity NPD1240 Approved
0.7 Intermediate Similarity NPD5353 Approved
0.7 Intermediate Similarity NPD3847 Discontinued
0.6992 Remote Similarity NPD4750 Phase 3
0.6983 Remote Similarity NPD2860 Approved
0.6983 Remote Similarity NPD2859 Approved
0.6978 Remote Similarity NPD4538 Approved
0.6978 Remote Similarity NPD4536 Approved
0.6978 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6977 Remote Similarity NPD5691 Approved
0.6972 Remote Similarity NPD5177 Phase 3
0.6972 Remote Similarity NPD5698 Clinical (unspecified phase)
0.697 Remote Similarity NPD5327 Phase 3
0.697 Remote Similarity NPD1669 Approved
0.6968 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6968 Remote Similarity NPD6166 Phase 2
0.6968 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6963 Remote Similarity NPD1008 Clinical (unspecified phase)
0.6957 Remote Similarity NPD230 Phase 1
0.6957 Remote Similarity NPD1933 Approved
0.6954 Remote Similarity NPD4868 Clinical (unspecified phase)
0.695 Remote Similarity NPD7266 Discontinued
0.6949 Remote Similarity NPD3020 Approved
0.6947 Remote Similarity NPD1281 Approved
0.694 Remote Similarity NPD6584 Phase 3
0.6933 Remote Similarity NPD4585 Approved
0.6929 Remote Similarity NPD6671 Approved
0.6929 Remote Similarity NPD1510 Phase 2
0.6929 Remote Similarity NPD709 Approved
0.6929 Remote Similarity NPD3748 Approved
0.6923 Remote Similarity NPD4626 Approved
0.6923 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6923 Remote Similarity NPD6331 Phase 2
0.6923 Remote Similarity NPD2668 Approved
0.6923 Remote Similarity NPD3892 Phase 2
0.6923 Remote Similarity NPD2423 Clinical (unspecified phase)
0.6923 Remote Similarity NPD2667 Approved
0.6923 Remote Similarity NPD4110 Phase 3
0.6923 Remote Similarity NPD7466 Approved
0.6923 Remote Similarity NPD2107 Clinical (unspecified phase)
0.6923 Remote Similarity NPD7473 Discontinued
0.6913 Remote Similarity NPD6386 Approved
0.6913 Remote Similarity NPD6385 Approved
0.6906 Remote Similarity NPD2492 Phase 1
0.6906 Remote Similarity NPD2653 Approved
0.6906 Remote Similarity NPD1607 Approved
0.6899 Remote Similarity NPD6581 Approved
0.6899 Remote Similarity NPD6580 Approved
0.6894 Remote Similarity NPD1608 Approved
0.6891 Remote Similarity NPD3028 Approved
0.6884 Remote Similarity NPD2238 Phase 2
0.6879 Remote Similarity NPD2438 Suspended
0.6879 Remote Similarity NPD8252 Approved
0.6879 Remote Similarity NPD8251 Approved
0.6879 Remote Similarity NPD8099 Discontinued
0.6875 Remote Similarity NPD5241 Discontinued
0.6863 Remote Similarity NPD919 Approved
0.6853 Remote Similarity NPD1652 Phase 2
0.6853 Remote Similarity NPD6674 Discontinued
0.6849 Remote Similarity NPD4584 Approved
0.6849 Remote Similarity NPD3688 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   5387294
ChEMBL   CHEMBL44509
ZINC  

Physicochemical Properties

Molecular Weight:  300.14
ALogP:  0.2606
MLogP:  3
XLogP:  4.338
# Rotatable Bonds:  10
Polar Surface Area:  36.92
# H-Bond Aceptor:  0
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  22

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Biological Activities  
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