Natural Product: NPC296920

Natural Product ID:  NPC296920
Common Name:   Resveratrol 4'-Methyl Ether
IUPAC Name:   5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene-1,3-diol
Synonyms:  
Molecular Formula:   C15H14O3
Standard InCHIKey:  IHVRWFJGOIWMGC-NSCUHMNNSA-N
Standard InCHI:  InChI=1S/C15H14O3/c1-18-15-6-4-11(5-7-15)2-3-12-8-13(16)10-14(17)9-12/h2-10,16-17H,1H3/b3-2+
Canonical SMILES:  COc1ccc(cc1)/C=C/c1cc(O)cc(c1)O
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
NPO12714 Dracaena cochinchinensis Species Asparagaceae Eukaryota Stems Ningming County, Guangxi autonomous region, China 2006-JAN PMID[17883259]
NPO28024 Rheum palmatum Species Polygonaceae Eukaryota TM-MC*
NPO7632 Rheum tanguticum Species Polygonaceae Eukaryota TM-MC*
NPO88 Rheum undulatum Species Polygonaceae Eukaryota Rhizomes PMID[10714491]
NPO13545 Danaus gilippus Species Nymphalidae Eukaryota UNPD*
NPO15391 Taraxacum kok-saghyz Species Asteraceae Eukaryota UNPD*
NPO14554 Stevia ovata Species Asteraceae Eukaryota UNPD*
NPO13229 Clibadium sprucei Species Asteraceae Eukaryota UNPD*
NPO25238 Rheum coreanum Species Polygonaceae Eukaryota TM-MC*
NPO20881 Rheum officinale Species Polygonaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1 Others Radical scavenging activity EC50 = 48.6 12749887
NPT32 Organism Mus musculus Mus musculus IC50 > 30000 nM 10714491
NPT32 Organism Mus musculus Mus musculus Inhibition = 13 % 10714491
NPT168 Cell Line P388 Mus musculus ED50 = 28.9 ug/ml 12036362
NPT1081 Cell Line BXPC-3 Homo sapiens GI50 = 6.3 ug/ml 12036362
NPT83 Cell Line MCF7 Homo sapiens GI50 = 3.4 ug/ml 12036362
NPT395 Cell Line SF-268 Homo sapiens GI50 = 3.1 ug/ml 12036362
NPT2 Others Unspecified GI50 = 6.8 ug/ml 12036362
NPT575 Cell Line KM-20L2 Homo sapiens GI50 = 3.8 ug/ml 12036362
NPT90 Cell Line DU-145 Homo sapiens GI50 = 2.7 ug/ml 12036362
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 > 50000 nM 16250636
NPT2 Others Unspecified Activity = 2.49 17316918
NPT2 Others Unspecified Activity = 87 % 17316918
NPT2 Others Unspecified Activity = 1.14 nM 17316918
NPT451 Organism Helicobacter pylori Helicobacter pylori MIC = 264500 nM 17883259
NPT5816 Individual Protein Peroxisome proliferator-activated receptor alpha Rattus norvegicus Activity > 2 18272370
NPT2 Others Unspecified IC50 = 12.9 ug 9392877
NPT2 Others Unspecified IC50 = 119.14 ug 9392877
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens IC50 = 25800 nM 18487053
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 19600 nM 18487053
NPT139 Cell Line HT-29 Homo sapiens IC50 = 24500 nM 20627379
NPT492 Cell Line Caco-2 Homo sapiens IC50 > 30000 nM 20627379
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 11220.2 nM PubChem BioAssay data set
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 22387.2 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 3548.1 nM PubChem BioAssay data set
NPT1119 Individual Protein Arachidonate 12-lipoxygenase Homo sapiens Potency = 19952.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 35481.3 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 1412.5 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 > 25000 nM 21215623
NPT365 Individual Protein NAD(P)H dehydrogenase [quinone] 1 Mus musculus Activity > 0.02 nM 21215623
NPT2 Others Unspecified EC50 = 2400 nM 10.1007/s00044-009-9236-2
NPT587 Tissue Liver microsome Rattus norvegicus EC50 = 661000 nM 10.1007/s00044-009-9236-2
NPT2 Others Unspecified Potency 4610.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2592.9 nM PubChem BioAssay data set
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 134.99 % 23571415
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 300.18 % 23571415
NPT1604 Individual Protein Cytochrome P450 1B1 Homo sapiens IC50 = 800 nM 10.1039/C3MD00317E
NPT1604 Individual Protein Cytochrome P450 1B1 Homo sapiens Ki = 2100 nM 10.1039/C0MD00242A
NPT1603 Individual Protein Cytochrome P450 1A1 Homo sapiens Ki = 160 nM 10.1039/C0MD00242A
NPT1173 Organism Candida albicans SC5314 Candida albicans SC5314 MIC95 = 150 ug/ml 25014026
NPT2580 Organism Candida dubliniensis Candida dubliniensis MIC95 = 150 ug/ml 25014026
NPT3676 Organism Candida famata Candida famata MIC95 = 18 ug/ml 25014026
NPT554 Organism Candida glabrata Candida glabrata MIC95 = 150 ug/ml 25014026
NPT2578 Organism Pichia guilliermondii Meyerozyma guilliermondii MIC95 = 150 ug/ml 25014026
NPT3678 Organism Candida inconspicua Candida inconspicua MIC95 = 300 ug/ml 25014026
NPT3153 Organism Kluyveromyces marxianus Kluyveromyces marxianus MIC95 = 150 ug/ml 25014026
NPT187 Organism Issatchenkia orientalis Pichia kudriavzevii MIC95 = 150 ug/ml 25014026
NPT820 Organism Clavispora lusitaniae Clavispora lusitaniae MIC95 = 300 ug/ml 25014026
NPT3677 Organism Pichia norvegensis Pichia norvegensis MIC95 = 75 ug/ml 25014026
NPT188 Organism Candida parapsilosis Candida parapsilosis MIC95 = 300 ug/ml 25014026
NPT186 Organism Candida tropicalis Candida tropicalis MIC95 = 300 ug/ml 25014026

  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 NPC296920 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 NPC90520
0.9904 High Similarity NPC280606
0.9717 High Similarity NPC180508
0.9717 High Similarity NPC228287
0.9712 High Similarity NPC94045
0.9537 High Similarity NPC141090
0.9537 High Similarity NPC203113
0.945 High Similarity NPC195466
0.945 High Similarity NPC474933
0.9352 High Similarity NPC276737
0.9352 High Similarity NPC22610
0.9327 High Similarity NPC164576
0.932 High Similarity NPC474603
0.932 High Similarity NPC12987
0.9279 High Similarity NPC226629
0.9266 High Similarity NPC808
0.9266 High Similarity NPC167934
0.9266 High Similarity NPC53906
0.9252 High Similarity NPC255068
0.9245 High Similarity NPC82016
0.9196 High Similarity NPC247364
0.9196 High Similarity NPC10932
0.9196 High Similarity NPC474565
0.9196 High Similarity NPC61516
0.9196 High Similarity NPC232084
0.9182 High Similarity NPC150624
0.9115 High Similarity NPC166759
0.9115 High Similarity NPC102639
0.9099 High Similarity NPC33270
0.9099 High Similarity NPC15860
0.9099 High Similarity NPC470759
0.9099 High Similarity NPC69261
0.9099 High Similarity NPC244816
0.9099 High Similarity NPC219070
0.9099 High Similarity NPC127894
0.9099 High Similarity NPC50521
0.9099 High Similarity NPC221549
0.9091 High Similarity NPC464
0.9091 High Similarity NPC185541
0.9057 High Similarity NPC35543
0.9035 High Similarity NPC476633
0.9029 High Similarity NPC161571
0.9029 High Similarity NPC275053
0.9029 High Similarity NPC248573
0.9018 High Similarity NPC190514
0.9009 High Similarity NPC85292
0.9009 High Similarity NPC54507
0.9009 High Similarity NPC114064
0.9009 High Similarity NPC229147
0.8981 High Similarity NPC168657
0.8972 High Similarity NPC245115
0.8972 High Similarity NPC75440
0.8957 High Similarity NPC473411
0.8957 High Similarity NPC262253
0.8957 High Similarity NPC71579
0.8957 High Similarity NPC41562
0.8938 High Similarity NPC184302
0.8929 High Similarity NPC259638
0.8879 High Similarity NPC282496
0.8879 High Similarity NPC233526
0.8879 High Similarity NPC228922
0.8879 High Similarity NPC84086
0.8879 High Similarity NPC136319
0.8879 High Similarity NPC197757
0.885 High Similarity NPC131118
0.8839 High Similarity NPC193067
0.8835 High Similarity NPC291789
0.8807 High Similarity NPC303521
0.8807 High Similarity NPC2682
0.8803 High Similarity NPC206487
0.8803 High Similarity NPC138248
0.8803 High Similarity NPC270030
0.8803 High Similarity NPC228503
0.8803 High Similarity NPC5796
0.8774 High Similarity NPC30506
0.8772 High Similarity NPC20674
0.8729 High Similarity NPC234400
0.8729 High Similarity NPC17943
0.8729 High Similarity NPC265483
0.8729 High Similarity NPC251855
0.8729 High Similarity NPC203133
0.8729 High Similarity NPC299584
0.8729 High Similarity NPC82483
0.8729 High Similarity NPC105718
0.8729 High Similarity NPC472093
0.8729 High Similarity NPC116907
0.8729 High Similarity NPC298757
0.8729 High Similarity NPC105031
0.8729 High Similarity NPC60885
0.8729 High Similarity NPC113495
0.8729 High Similarity NPC117214
0.8729 High Similarity NPC208950
0.8729 High Similarity NPC233410
0.8729 High Similarity NPC193544
0.8729 High Similarity NPC475169
0.8729 High Similarity NPC57490
0.8729 High Similarity NPC278955
0.8729 High Similarity NPC105925
0.8729 High Similarity NPC221077
0.8707 High Similarity NPC75713
0.8707 High Similarity NPC145780
0.8696 High Similarity NPC229401
0.8692 High Similarity NPC292452
0.8684 High Similarity NPC74821
0.8673 High Similarity NPC123948
0.8655 High Similarity NPC170485
0.8655 High Similarity NPC78974
0.8655 High Similarity NPC223136
0.8655 High Similarity NPC223953
0.8655 High Similarity NPC103823
0.8655 High Similarity NPC28730
0.8655 High Similarity NPC18924
0.8655 High Similarity NPC44748
0.8655 High Similarity NPC214406
0.8632 High Similarity NPC18128
0.8632 High Similarity NPC77789
0.8624 High Similarity NPC201959
0.8611 High Similarity NPC113457
0.8609 High Similarity NPC295259
0.8585 High Similarity NPC100340
0.8585 High Similarity NPC143659
0.8583 High Similarity NPC127587
0.8583 High Similarity NPC53781
0.8583 High Similarity NPC210355
0.8583 High Similarity NPC169474
0.8583 High Similarity NPC473221
0.8583 High Similarity NPC159968
0.8583 High Similarity NPC74817
0.8583 High Similarity NPC324112
0.8583 High Similarity NPC282000
0.8583 High Similarity NPC236791
0.8583 High Similarity NPC266555
0.8583 High Similarity NPC124452
0.8583 High Similarity NPC293054
0.8583 High Similarity NPC246620
0.8583 High Similarity NPC82679
0.8559 High Similarity NPC121115
0.8559 High Similarity NPC203924
0.8559 High Similarity NPC474160
0.8559 High Similarity NPC95168
0.8547 High Similarity NPC193364
0.8547 High Similarity NPC285289
0.8545 High Similarity NPC165386
0.8534 High Similarity NPC258979
0.8534 High Similarity NPC93398
0.8534 High Similarity NPC8283
0.8532 High Similarity NPC176527
0.8512 High Similarity NPC98631
0.8512 High Similarity NPC470213
0.8512 High Similarity NPC186843
0.8512 High Similarity NPC38017
0.8512 High Similarity NPC206615
0.8512 High Similarity NPC215300
0.8512 High Similarity NPC154866
0.8505 High Similarity NPC305205
0.85 High Similarity NPC76451
0.85 High Similarity NPC82299
0.8487 Intermediate Similarity NPC122792
0.8487 Intermediate Similarity NPC228972
0.8475 Intermediate Similarity NPC36016
0.8475 Intermediate Similarity NPC100099
0.8475 Intermediate Similarity NPC74137
0.8455 Intermediate Similarity NPC34864
0.8455 Intermediate Similarity NPC105727
0.8455 Intermediate Similarity NPC58427
0.8455 Intermediate Similarity NPC114392
0.8448 Intermediate Similarity NPC15805
0.8448 Intermediate Similarity NPC85895
0.8448 Intermediate Similarity NPC254625
0.8448 Intermediate Similarity NPC475961
0.8448 Intermediate Similarity NPC137294
0.8447 Intermediate Similarity NPC295295
0.8443 Intermediate Similarity NPC58164
0.8443 Intermediate Similarity NPC10225
0.8443 Intermediate Similarity NPC170844
0.8443 Intermediate Similarity NPC471519
0.8443 Intermediate Similarity NPC470633
0.8443 Intermediate Similarity NPC228769
0.8443 Intermediate Similarity NPC190144
0.8443 Intermediate Similarity NPC212015
0.8443 Intermediate Similarity NPC471518
0.8443 Intermediate Similarity NPC476968
0.843 Intermediate Similarity NPC46978
0.843 Intermediate Similarity NPC252131
0.8426 Intermediate Similarity NPC102216
0.8426 Intermediate Similarity NPC241891
0.8407 Intermediate Similarity NPC204120
0.8403 Intermediate Similarity NPC76465
0.8403 Intermediate Similarity NPC238810
0.8403 Intermediate Similarity NPC38761
0.8393 Intermediate Similarity NPC225679
0.8393 Intermediate Similarity NPC4493
0.8393 Intermediate Similarity NPC165770
0.8393 Intermediate Similarity NPC476632
0.839 Intermediate Similarity NPC212965
0.839 Intermediate Similarity NPC54972
0.839 Intermediate Similarity NPC49341
0.8378 Intermediate Similarity NPC202647
0.8378 Intermediate Similarity NPC36108
0.8378 Intermediate Similarity NPC233731

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC296920 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
0.9029 High Similarity NPD1242 Phase 1
0.8684 High Similarity NPD1548 Phase 1
0.8547 High Similarity NPD1610 Phase 2
0.8443 Intermediate Similarity NPD3027 Phase 3
0.825 Intermediate Similarity NPD2982 Phase 2
0.825 Intermediate Similarity NPD2983 Phase 2
0.823 Intermediate Similarity NPD228 Approved
0.8211 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.8211 Intermediate Similarity NPD4908 Phase 1
0.8167 Intermediate Similarity NPD2981 Phase 2
0.813 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.8108 Intermediate Similarity NPD968 Approved
0.8095 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.8095 Intermediate Similarity NPD1613 Approved
0.8083 Intermediate Similarity NPD422 Phase 1
0.808 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.8073 Intermediate Similarity NPD846 Approved
0.8073 Intermediate Similarity NPD940 Approved
0.8 Intermediate Similarity NPD4625 Phase 3
0.7984 Intermediate Similarity NPD3018 Phase 2
0.7951 Intermediate Similarity NPD4749 Approved
0.785 Intermediate Similarity NPD2934 Approved
0.785 Intermediate Similarity NPD2933 Approved
0.7812 Intermediate Similarity NPD1240 Approved
0.7805 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7805 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD2860 Approved
0.7778 Intermediate Similarity NPD5283 Phase 1
0.7778 Intermediate Similarity NPD2859 Approved
0.776 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7739 Intermediate Similarity NPD4750 Phase 3
0.7727 Intermediate Similarity NPD3020 Approved
0.7698 Intermediate Similarity NPD2861 Phase 2
0.7692 Intermediate Similarity NPD1607 Approved
0.767 Intermediate Similarity NPD111 Approved
0.7656 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7656 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7647 Intermediate Similarity NPD6671 Approved
0.7619 Intermediate Similarity NPD6584 Phase 3
0.7586 Intermediate Similarity NPD5451 Approved
0.7576 Intermediate Similarity NPD1510 Phase 2
0.7565 Intermediate Similarity NPD290 Approved
0.7547 Intermediate Similarity NPD9295 Approved
0.7541 Intermediate Similarity NPD1357 Approved
0.7521 Intermediate Similarity NPD5536 Phase 2
0.75 Intermediate Similarity NPD2684 Approved
0.75 Intermediate Similarity NPD709 Approved
0.746 Intermediate Similarity NPD1283 Approved
0.7459 Intermediate Similarity NPD1182 Approved
0.744 Intermediate Similarity NPD1608 Approved
0.7436 Intermediate Similarity NPD3021 Approved
0.7436 Intermediate Similarity NPD3022 Approved
0.7407 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7405 Intermediate Similarity NPD2238 Phase 2
0.7405 Intermediate Similarity NPD1558 Phase 1
0.7398 Intermediate Similarity NPD1651 Approved
0.7395 Intermediate Similarity NPD821 Approved
0.7391 Intermediate Similarity NPD4357 Discontinued
0.7381 Intermediate Similarity NPD6582 Phase 2
0.7381 Intermediate Similarity NPD1669 Approved
0.7381 Intermediate Similarity NPD6583 Phase 3
0.7379 Intermediate Similarity NPD9089 Approved
0.7364 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7339 Intermediate Similarity NPD2668 Approved
0.7339 Intermediate Similarity NPD2667 Approved
0.7339 Intermediate Similarity NPD4626 Approved
0.7333 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD3540 Phase 1
0.7333 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7328 Intermediate Similarity NPD3134 Approved
0.7302 Intermediate Similarity NPD2232 Approved
0.7302 Intermediate Similarity NPD2233 Approved
0.7302 Intermediate Similarity NPD2230 Approved
0.7297 Intermediate Similarity NPD844 Approved
0.7282 Intermediate Similarity NPD9093 Approved
0.728 Intermediate Similarity NPD3847 Discontinued
0.7279 Intermediate Similarity NPD1549 Phase 2
0.7273 Intermediate Similarity NPD4060 Phase 1
0.7266 Intermediate Similarity NPD1511 Approved
0.7265 Intermediate Similarity NPD1358 Approved
0.7259 Intermediate Similarity NPD3539 Phase 1
0.7259 Intermediate Similarity NPD6099 Approved
0.7259 Intermediate Similarity NPD6100 Approved
0.7259 Intermediate Similarity NPD2935 Discontinued
0.7259 Intermediate Similarity NPD1551 Phase 2
0.725 Intermediate Similarity NPD5535 Approved
0.725 Intermediate Similarity NPD7843 Approved
0.7232 Intermediate Similarity NPD288 Approved
0.7222 Intermediate Similarity NPD1535 Discovery
0.7222 Intermediate Similarity NPD1281 Approved
0.7222 Intermediate Similarity NPD1091 Approved
0.7214 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7214 Intermediate Similarity NPD7447 Phase 1
0.7213 Intermediate Similarity NPD7157 Approved
0.7209 Intermediate Similarity NPD4624 Approved
0.7207 Intermediate Similarity NPD9296 Approved
0.72 Intermediate Similarity NPD1778 Approved
0.72 Intermediate Similarity NPD17 Approved
0.7193 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7177 Intermediate Similarity NPD1894 Discontinued
0.7174 Intermediate Similarity NPD3750 Approved
0.7165 Intermediate Similarity NPD1481 Phase 2
0.7165 Intermediate Similarity NPD2231 Phase 2
0.7165 Intermediate Similarity NPD1840 Phase 2
0.7165 Intermediate Similarity NPD2235 Phase 2
0.7164 Intermediate Similarity NPD4097 Suspended
0.7163 Intermediate Similarity NPD1512 Approved
0.7154 Intermediate Similarity NPD9494 Approved
0.7143 Intermediate Similarity NPD7212 Phase 2
0.7143 Intermediate Similarity NPD7213 Phase 3
0.712 Intermediate Similarity NPD5585 Approved
0.7103 Intermediate Similarity NPD1934 Approved
0.7101 Intermediate Similarity NPD3060 Approved
0.709 Intermediate Similarity NPD230 Phase 1
0.7083 Intermediate Similarity NPD4675 Approved
0.7083 Intermediate Similarity NPD4678 Approved
0.7063 Intermediate Similarity NPD5846 Approved
0.7063 Intermediate Similarity NPD2423 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD6516 Phase 2
0.7055 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD2801 Approved
0.7054 Intermediate Similarity NPD3225 Approved
0.705 Intermediate Similarity NPD3892 Phase 2
0.7049 Intermediate Similarity NPD1241 Discontinued
0.7045 Intermediate Similarity NPD7095 Approved
0.704 Intermediate Similarity NPD9545 Approved
0.7037 Intermediate Similarity NPD3052 Approved
0.7037 Intermediate Similarity NPD2568 Approved
0.7037 Intermediate Similarity NPD3054 Approved
0.7016 Intermediate Similarity NPD3596 Phase 2
0.7015 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7015 Intermediate Similarity NPD3620 Phase 2
0.7008 Intermediate Similarity NPD3496 Discontinued
0.7007 Intermediate Similarity NPD2796 Approved
0.7 Intermediate Similarity NPD1203 Approved
0.7 Intermediate Similarity NPD2219 Phase 1
0.7 Intermediate Similarity NPD2797 Approved
0.7 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.6992 Remote Similarity NPD3145 Approved
0.6992 Remote Similarity NPD3144 Approved
0.6985 Remote Similarity NPD4538 Approved
0.6985 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6985 Remote Similarity NPD4536 Approved
0.6984 Remote Similarity NPD5691 Approved
0.6978 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6977 Remote Similarity NPD5327 Phase 3
0.6972 Remote Similarity NPD9094 Approved
0.697 Remote Similarity NPD600 Approved
0.697 Remote Similarity NPD596 Approved
0.697 Remote Similarity NPD1008 Clinical (unspecified phase)
0.6963 Remote Similarity NPD5735 Approved
0.6963 Remote Similarity NPD5124 Phase 1
0.6963 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6959 Remote Similarity NPD3882 Suspended
0.6953 Remote Similarity NPD3705 Approved
0.695 Remote Similarity NPD7124 Phase 2
0.6944 Remote Similarity NPD1653 Approved
0.694 Remote Similarity NPD2674 Phase 3
0.6937 Remote Similarity NPD9365 Approved
0.6929 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6929 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6923 Remote Similarity NPD6696 Suspended
0.6912 Remote Similarity NPD1772 Clinical (unspecified phase)
0.6905 Remote Similarity NPD6580 Approved
0.6905 Remote Similarity NPD6581 Approved
0.6905 Remote Similarity NPD3091 Approved
0.6897 Remote Similarity NPD3028 Approved
0.6897 Remote Similarity NPD4005 Discontinued
0.6894 Remote Similarity NPD4993 Discontinued
0.6889 Remote Similarity NPD943 Approved
0.6889 Remote Similarity NPD4140 Approved
0.688 Remote Similarity NPD9493 Approved
0.6871 Remote Similarity NPD37 Approved
0.6861 Remote Similarity NPD6111 Discontinued
0.686 Remote Similarity NPD1792 Phase 2
0.686 Remote Similarity NPD9380 Clinical (unspecified phase)
0.6857 Remote Similarity NPD1652 Phase 2
0.6853 Remote Similarity NPD7410 Clinical (unspecified phase)
0.685 Remote Similarity NPD6830 Clinical (unspecified phase)
0.6849 Remote Similarity NPD4380 Phase 2
0.6846 Remote Similarity NPD4359 Approved
0.6846 Remote Similarity NPD3676 Clinical (unspecified phase)
0.6842 Remote Similarity NPD5752 Clinical (unspecified phase)
0.6842 Remote Similarity NPD1809 Phase 2
0.6838 Remote Similarity NPD291 Approved
0.6833 Remote Similarity NPD2342 Discontinued
0.6829 Remote Similarity NPD7635 Approved
0.6824 Remote Similarity NPD7819 Suspended
0.6822 Remote Similarity NPD3092 Approved
0.6822 Remote Similarity NPD1611 Approved
0.6818 Remote Similarity NPD3690 Phase 2
0.6818 Remote Similarity NPD3691 Phase 2
0.6815 Remote Similarity NPD839 Approved
0.6815 Remote Similarity NPD6233 Phase 2
0.6815 Remote Similarity NPD840 Approved
0.6814 Remote Similarity NPD845 Approved
0.6812 Remote Similarity NPD5588 Approved
0.6812 Remote Similarity NPD4108 Discontinued
0.6812 Remote Similarity NPD3748 Approved
0.6812 Remote Similarity NPD5960 Phase 3

Structure

External Identifiers

PubChem CID   6255462
ChEMBL   CHEMBL291501
ZINC  

Physicochemical Properties

Molecular Weight:  242.09
ALogP:  -0.5046
MLogP:  2.78
XLogP:  3.955
# Rotatable Bonds:  6
Polar Surface Area:  49.69
# H-Bond Aceptor:  0
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  18

Download Data

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