Natural Product: NPC185231

Natural Product ID:  NPC185231
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C36H34O17
Standard InCHIKey:  JUIIUJBWZYKSEP-DXNKJTEVSA-N
Standard InCHI:  InChI=1S/C36H34O17/c37-11-25-29(46)30(47)31(48)35(49-25)51-34-28-26-21(44)7-14(38)8-23(26)52-36(34,13-2-4-17(40)20(43)6-13)53-24-10-18(41)15-9-22(45)32(50-33(15)27(24)28)12-1-3-16(39)19(42)5-12/h1-8,10,22,25,28-32,34-35,37-48H,9,11H2/t22-,25-,28+,29+,30+,31-,32-,34+,35+,36-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](O[C@H]2[C@H]3c4c(O)cc(cc4O[C@@]2(Oc2c3c3O[C@@H]([C@@H](Cc3c(c2)O)O)c2ccc(c(c2)O)O)c2ccc(c(c2)O)O)O)[C@@H]([C@H]([C@H]1O)O)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
NPO9107 Metalasia bolusii Species Asteraceae Eukaryota UNPD*
NPO15969 Alcyonium molle Species Alcyoniidae Eukaryota UNPD*
NPO10247 Orthosphenia mexicana Species Celastraceae Eukaryota UNPD*
NPO9196 Aconitum sachalinense Species Ranunculaceae Eukaryota UNPD*
NPO15531 Quercus dentata Species Fagaceae Eukaryota UNPD*
NPO16856 Solanum elaeagnifolium Species Solanaceae Eukaryota UNPD*
NPO16435 Cacalia bicolor Species Asteraceae Eukaryota UNPD*
NPO2372 Cryptotermes cynocephalus Species Termitoidae Eukaryota UNPD*
NPO16522 Ceratozamia fuscoviridis Species Zamiaceae Eukaryota UNPD*
NPO15760 Aconitum pseudohuiliense Species Ranunculaceae Eukaryota UNPD*
NPO12697 Baccharis megapotamica Species Asteraceae Eukaryota UNPD*
NPO29175 Strychnos tabascana Species Loganiaceae Eukaryota UNPD*
NPO14723 Streptomyces xantholiticus Species Streptomycetaceae Bacteria UNPD*
NPO14413 Bombus muscorum Species Apidae Eukaryota UNPD*
NPO7632 Rheum tanguticum Species Polygonaceae Eukaryota UNPD*
NPO18873.8 Salmonella enterica subsp. enterica serovar typhimurium Subspecies Enterobacteriaceae Bacteria UNPD*
NPO14892 Flemingia congesta Species Fabaceae Eukaryota UNPD*
NPO10431 Eupatorium gracile Species Asteraceae Eukaryota UNPD*
NPO9823 Centrosema pascuorum Species Fabaceae Eukaryota UNPD*
NPO5468 Dacrydium fonki Species Mytilidae Eukaryota UNPD*
NPO13719 Salacia prinoides Species Sertulariidae Eukaryota UNPD*
NPO4448 Relhania pumila Species Asteraceae Eukaryota UNPD*
NPO14046 Stevia mercedensis Species Asteraceae Eukaryota UNPD*
NPO21913 Verbesina rupestris Species Asteraceae Eukaryota UNPD*
NPO13396 Aplophyllum popovii NA NA NA UNPD*
NPO16289 Marrubium supinum Species Lamiaceae Eukaryota UNPD*
NPO16071 Erigeron crispus Species Asteraceae Eukaryota UNPD*
NPO10802 Rhinoceros sondaicus Species Rhinocerotidae Eukaryota UNPD*
NPO13872 Amanita cokeri Species Amanitaceae Eukaryota UNPD*
NPO16362 Symploca hydnoides Species Microcoleaceae Bacteria UNPD*
NPO25903 Swinglea glutinosa Species Rutaceae Eukaryota UNPD*
NPO7515 Codium decorticatum Species Codiaceae Eukaryota UNPD*
NPO14572 Senecio latifolius Species Asteraceae Eukaryota UNPD*
NPO26436 Citrus glauca Species Rutaceae Eukaryota UNPD*
NPO15147 Ficus simplicissima Species Moraceae Eukaryota UNPD*
NPO13563 Alstonia deplanchei Species Apocynaceae Eukaryota UNPD*
NPO24501 Asteriscus graveolens Species Asteraceae Eukaryota UNPD*
NPO15401 Theobroma cacao Species Malvaceae Eukaryota UNPD*
NPO576 Oxyanthus speciosus Species Rubiaceae Eukaryota UNPD*
NPO16601 Styrax perkinsiae Species Styracaceae Eukaryota UNPD*
NPO15024 Senecio rivularis Species Asteraceae Eukaryota UNPD*
NPO17259 Thuja standishii Species Cupressaceae Eukaryota UNPD*
NPO12438 Fomes cajanderi Species Coriolaceae Eukaryota UNPD*
NPO4654 Critonia quadrangularis Species Asteraceae Eukaryota UNPD*
NPO16766 Haplophyllum dauricum Species Rutaceae Eukaryota UNPD*
NPO11233 Pseudocyphellaria impressa Species Lobariaceae Eukaryota UNPD*
NPO11915 Lecanora planaica Species Lecanoraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1 Others Radical scavenging activity IC50 = 3.9 ug/ml 25599949
NPT2 Others Unspecified IC50 = 2.5 ug/ml 25599949
NPT587 Tissue Liver microsome Rattus norvegicus IC50 = 18 ug/ml 25599949

  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 NPC185231 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
0.9801 High Similarity NPC73517
0.9801 High Similarity NPC4809
0.9801 High Similarity NPC147743
0.9737 High Similarity NPC471404
0.9737 High Similarity NPC86630
0.9737 High Similarity NPC151474
0.9737 High Similarity NPC106601
0.9737 High Similarity NPC205613
0.9737 High Similarity NPC159526
0.9737 High Similarity NPC212614
0.96 High Similarity NPC272552
0.96 High Similarity NPC134911
0.96 High Similarity NPC46283
0.96 High Similarity NPC322899
0.96 High Similarity NPC44192
0.96 High Similarity NPC469944
0.96 High Similarity NPC226108
0.9536 High Similarity NPC224161
0.9533 High Similarity NPC259707
0.9474 High Similarity NPC46335
0.947 High Similarity NPC279406
0.947 High Similarity NPC226809
0.9419 High Similarity NPC100936
0.9419 High Similarity NPC1253
0.9408 High Similarity NPC20050
0.9408 High Similarity NPC306267
0.9404 High Similarity NPC473621
0.9342 High Similarity NPC59692
0.9333 High Similarity NPC280945
0.9276 High Similarity NPC471403
0.9267 High Similarity NPC18185
0.9267 High Similarity NPC58190
0.9267 High Similarity NPC262911
0.9267 High Similarity NPC82917
0.9267 High Similarity NPC170103
0.9267 High Similarity NPC204770
0.9267 High Similarity NPC108811
0.9267 High Similarity NPC263940
0.9267 High Similarity NPC294558
0.9267 High Similarity NPC236202
0.9267 High Similarity NPC202742
0.9267 High Similarity NPC70409
0.9211 High Similarity NPC477612
0.92 High Similarity NPC102280
0.92 High Similarity NPC155564
0.92 High Similarity NPC96576
0.92 High Similarity NPC248053
0.9177 High Similarity NPC12326
0.9145 High Similarity NPC211561
0.9139 High Similarity NPC15538
0.9139 High Similarity NPC473480
0.9091 High Similarity NPC233467
0.9079 High Similarity NPC20757
0.9079 High Similarity NPC227516
0.9067 High Similarity NPC469313
0.9067 High Similarity NPC76176
0.9067 High Similarity NPC138227
0.9067 High Similarity NPC168579
0.9 High Similarity NPC37793
0.8961 High Similarity NPC472710
0.8961 High Similarity NPC472709
0.8947 High Similarity NPC125755
0.894 High Similarity NPC225445
0.894 High Similarity NPC171932
0.894 High Similarity NPC28440
0.8929 High Similarity NPC318119
0.8882 High Similarity NPC277867
0.8882 High Similarity NPC475096
0.8882 High Similarity NPC161700
0.8874 High Similarity NPC116922
0.8869 High Similarity NPC321916
0.8867 High Similarity NPC277331
0.8867 High Similarity NPC178054
0.8867 High Similarity NPC100482
0.8846 High Similarity NPC21902
0.8839 High Similarity NPC185955
0.8839 High Similarity NPC214326
0.8839 High Similarity NPC225815
0.8839 High Similarity NPC469706
0.8839 High Similarity NPC260781
0.8839 High Similarity NPC218041
0.8839 High Similarity NPC182368
0.8839 High Similarity NPC9933
0.8839 High Similarity NPC145979
0.8839 High Similarity NPC469707
0.8831 High Similarity NPC281549
0.8831 High Similarity NPC270751
0.8824 High Similarity NPC190714
0.8824 High Similarity NPC99515
0.8816 High Similarity NPC475492
0.879 High Similarity NPC78809
0.8782 High Similarity NPC329343
0.8782 High Similarity NPC324517
0.8782 High Similarity NPC321972
0.8774 High Similarity NPC470208
0.8774 High Similarity NPC321657
0.8774 High Similarity NPC295573
0.8774 High Similarity NPC318373
0.8773 High Similarity NPC59516
0.8773 High Similarity NPC9309
0.8766 High Similarity NPC31325
0.8766 High Similarity NPC224674
0.8766 High Similarity NPC227902
0.8766 High Similarity NPC114505
0.8766 High Similarity NPC275284
0.8766 High Similarity NPC193473
0.8766 High Similarity NPC213074
0.8766 High Similarity NPC15956
0.8766 High Similarity NPC39657
0.8758 High Similarity NPC48880
0.875 High Similarity NPC278961
0.875 High Similarity NPC113680
0.875 High Similarity NPC473044
0.8742 High Similarity NPC273932
0.8742 High Similarity NPC89686
0.8742 High Similarity NPC469661
0.8742 High Similarity NPC257095
0.8734 High Similarity NPC157333
0.871 High Similarity NPC175976
0.8701 High Similarity NPC260397
0.8693 High Similarity NPC25292
0.8693 High Similarity NPC473045
0.8693 High Similarity NPC177597
0.8684 High Similarity NPC469559
0.8684 High Similarity NPC472714
0.8684 High Similarity NPC475084
0.8684 High Similarity NPC5262
0.8684 High Similarity NPC189115
0.8675 High Similarity NPC106944
0.8675 High Similarity NPC262189
0.8671 High Similarity NPC200645
0.8671 High Similarity NPC475227
0.8671 High Similarity NPC106669
0.8654 High Similarity NPC470826
0.8654 High Similarity NPC44452
0.8654 High Similarity NPC55158
0.8654 High Similarity NPC473266
0.8654 High Similarity NPC476969
0.8654 High Similarity NPC35877
0.8654 High Similarity NPC51328
0.8654 High Similarity NPC95392
0.8654 High Similarity NPC55715
0.8654 High Similarity NPC286235
0.8654 High Similarity NPC470098
0.8647 High Similarity NPC132111
0.8636 High Similarity NPC476301
0.8636 High Similarity NPC181615
0.8636 High Similarity NPC43508
0.8634 High Similarity NPC470828
0.8634 High Similarity NPC478269
0.8627 High Similarity NPC252169
0.8608 High Similarity NPC302610
0.86 High Similarity NPC203230
0.86 High Similarity NPC242028
0.8599 High Similarity NPC98624
0.8599 High Similarity NPC475224
0.8599 High Similarity NPC238140
0.859 High Similarity NPC130449
0.859 High Similarity NPC248132
0.859 High Similarity NPC304048
0.859 High Similarity NPC226153
0.8581 High Similarity NPC150714
0.8581 High Similarity NPC95652
0.8571 High Similarity NPC472712
0.8571 High Similarity NPC471063
0.8571 High Similarity NPC473046
0.8571 High Similarity NPC472713
0.8571 High Similarity NPC473108
0.8571 High Similarity NPC118385
0.8571 High Similarity NPC217635
0.8571 High Similarity NPC471667
0.8571 High Similarity NPC470827
0.8571 High Similarity NPC15659
0.8571 High Similarity NPC304894
0.8571 High Similarity NPC79429
0.8571 High Similarity NPC125495
0.8571 High Similarity NPC187774
0.8562 High Similarity NPC84207
0.8562 High Similarity NPC5253
0.8562 High Similarity NPC139976
0.8562 High Similarity NPC128337
0.8562 High Similarity NPC472353
0.8562 High Similarity NPC230718
0.8562 High Similarity NPC202104
0.8562 High Similarity NPC49542
0.8553 High Similarity NPC291101
0.8553 High Similarity NPC22317
0.8553 High Similarity NPC266197
0.8543 High Similarity NPC470308
0.8543 High Similarity NPC474390
0.8543 High Similarity NPC262328
0.8543 High Similarity NPC59324
0.8543 High Similarity NPC87777
0.8543 High Similarity NPC470307
0.8543 High Similarity NPC65530
0.8528 High Similarity NPC149873
0.8528 High Similarity NPC7191
0.8528 High Similarity NPC478267
0.8526 High Similarity NPC328567
0.8526 High Similarity NPC153182

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC185231 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
0.8385 Intermediate Similarity NPD8455 Phase 2
0.8333 Intermediate Similarity NPD1613 Approved
0.8333 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.8176 Intermediate Similarity NPD7074 Phase 3
0.8166 Intermediate Similarity NPD7228 Approved
0.8141 Intermediate Similarity NPD6674 Discontinued
0.8079 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.807 Intermediate Similarity NPD7472 Approved
0.8067 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.8012 Intermediate Similarity NPD7054 Approved
0.8 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7977 Intermediate Similarity NPD7251 Discontinued
0.7963 Intermediate Similarity NPD1653 Approved
0.7947 Intermediate Similarity NPD4908 Phase 1
0.7931 Intermediate Similarity NPD7808 Phase 3
0.7919 Intermediate Similarity NPD6797 Phase 2
0.7919 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7895 Intermediate Similarity NPD3027 Phase 3
0.7886 Intermediate Similarity NPD8312 Approved
0.7886 Intermediate Similarity NPD8313 Approved
0.7803 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7785 Intermediate Similarity NPD7266 Discontinued
0.7771 Intermediate Similarity NPD7240 Approved
0.7751 Intermediate Similarity NPD6234 Discontinued
0.7738 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7733 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7733 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7733 Intermediate Similarity NPD6166 Phase 2
0.7665 Intermediate Similarity NPD37 Approved
0.7661 Intermediate Similarity NPD7199 Phase 2
0.7644 Intermediate Similarity NPD3818 Discontinued
0.7633 Intermediate Similarity NPD4966 Approved
0.7633 Intermediate Similarity NPD4965 Approved
0.7633 Intermediate Similarity NPD4967 Phase 2
0.76 Intermediate Similarity NPD1610 Phase 2
0.76 Intermediate Similarity NPD1091 Approved
0.7588 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7528 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7515 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7472 Intermediate Similarity NPD6559 Discontinued
0.7471 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.746 Intermediate Similarity NPD7680 Approved
0.7419 Intermediate Similarity NPD2861 Phase 2
0.7401 Intermediate Similarity NPD5844 Phase 1
0.7389 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7356 Intermediate Similarity NPD6959 Discontinued
0.7353 Intermediate Similarity NPD1934 Approved
0.7348 Intermediate Similarity NPD8054 Approved
0.7348 Intermediate Similarity NPD8053 Approved
0.734 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7325 Intermediate Similarity NPD4625 Phase 3
0.7314 Intermediate Similarity NPD3787 Discontinued
0.7283 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD7097 Phase 1
0.7256 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7235 Intermediate Similarity NPD4380 Phase 2
0.7225 Intermediate Similarity NPD7768 Phase 2
0.7219 Intermediate Similarity NPD1548 Phase 1
0.7213 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7204 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD4060 Phase 1
0.7184 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD8151 Discontinued
0.7161 Intermediate Similarity NPD4749 Approved
0.7143 Intermediate Similarity NPD7447 Phase 1
0.7143 Intermediate Similarity NPD5124 Phase 1
0.7143 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD5058 Phase 3
0.7115 Intermediate Similarity NPD8651 Approved
0.711 Intermediate Similarity NPD1465 Phase 2
0.7107 Intermediate Similarity NPD7783 Phase 2
0.7107 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7102 Intermediate Similarity NPD5494 Approved
0.7095 Intermediate Similarity NPD7473 Discontinued
0.7088 Intermediate Similarity NPD7685 Pre-registration
0.7086 Intermediate Similarity NPD7075 Discontinued
0.7083 Intermediate Similarity NPD7212 Phase 2
0.7083 Intermediate Similarity NPD7213 Phase 3
0.7056 Intermediate Similarity NPD3751 Discontinued
0.7049 Intermediate Similarity NPD7549 Discontinued
0.7041 Intermediate Similarity NPD4160 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7022 Intermediate Similarity NPD6232 Discontinued
0.7017 Intermediate Similarity NPD8156 Discontinued
0.7011 Intermediate Similarity NPD2801 Approved
0.7011 Intermediate Similarity NPD7819 Suspended
0.6982 Remote Similarity NPD1511 Approved
0.6981 Remote Similarity NPD3018 Phase 2
0.6975 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6975 Remote Similarity NPD3620 Phase 2
0.6966 Remote Similarity NPD8127 Discontinued
0.6961 Remote Similarity NPD8099 Discontinued
0.6961 Remote Similarity NPD8252 Approved
0.6961 Remote Similarity NPD8251 Approved
0.6951 Remote Similarity NPD4536 Approved
0.6951 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6951 Remote Similarity NPD4538 Approved
0.6923 Remote Similarity NPD3705 Approved
0.6918 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6914 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6909 Remote Similarity NPD5960 Phase 3
0.6909 Remote Similarity NPD5588 Approved
0.6901 Remote Similarity NPD1512 Approved
0.6897 Remote Similarity NPD7411 Suspended
0.6897 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6882 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6882 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6875 Remote Similarity NPD3817 Phase 2
0.6862 Remote Similarity NPD7906 Approved
0.6862 Remote Similarity NPD6842 Approved
0.6862 Remote Similarity NPD6841 Approved
0.6862 Remote Similarity NPD6843 Phase 3
0.686 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6852 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6845 Remote Similarity NPD1652 Phase 2
0.6837 Remote Similarity NPD7696 Phase 3
0.6837 Remote Similarity NPD7697 Approved
0.6837 Remote Similarity NPD7698 Approved
0.6836 Remote Similarity NPD3882 Suspended
0.6835 Remote Similarity NPD2983 Phase 2
0.6835 Remote Similarity NPD2982 Phase 2
0.6833 Remote Similarity NPD7229 Phase 3
0.6829 Remote Similarity NPD5735 Approved
0.6826 Remote Similarity NPD5763 Approved
0.6826 Remote Similarity NPD2029 Clinical (unspecified phase)
0.6826 Remote Similarity NPD5762 Approved
0.6821 Remote Similarity NPD7843 Approved
0.6809 Remote Similarity NPD4663 Approved
0.6807 Remote Similarity NPD4108 Discontinued
0.6805 Remote Similarity NPD7466 Approved
0.6805 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6802 Remote Similarity NPD7871 Phase 2
0.6802 Remote Similarity NPD7870 Phase 2
0.6797 Remote Similarity NPD7157 Approved
0.6786 Remote Similarity NPD6823 Phase 2
0.6784 Remote Similarity NPD7040 Clinical (unspecified phase)
0.6784 Remote Similarity NPD7701 Phase 2
0.6784 Remote Similarity NPD7041 Phase 2
0.6782 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6782 Remote Similarity NPD7458 Discontinued
0.678 Remote Similarity NPD5402 Approved
0.6776 Remote Similarity NPD5283 Phase 1
0.6772 Remote Similarity NPD2981 Phase 2
0.6769 Remote Similarity NPD6778 Approved
0.6769 Remote Similarity NPD6776 Approved
0.6769 Remote Similarity NPD6782 Approved
0.6769 Remote Similarity NPD6781 Approved
0.6769 Remote Similarity NPD6780 Approved
0.6769 Remote Similarity NPD6777 Approved
0.6769 Remote Similarity NPD6779 Approved
0.6766 Remote Similarity NPD6100 Approved
0.6766 Remote Similarity NPD6099 Approved
0.6765 Remote Similarity NPD6190 Approved
0.6761 Remote Similarity NPD6801 Discontinued
0.6751 Remote Similarity NPD7435 Discontinued
0.6748 Remote Similarity NPD6798 Discontinued
0.6744 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6744 Remote Similarity NPD7446 Clinical (unspecified phase)
0.6744 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6738 Remote Similarity NPD7313 Approved
0.6738 Remote Similarity NPD7310 Approved
0.6738 Remote Similarity NPD4577 Approved
0.6738 Remote Similarity NPD7311 Approved
0.6738 Remote Similarity NPD4578 Approved
0.6738 Remote Similarity NPD7312 Approved
0.6731 Remote Similarity NPD1357 Approved
0.673 Remote Similarity NPD3600 Clinical (unspecified phase)
0.6727 Remote Similarity NPD6355 Discontinued
0.6726 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6726 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6717 Remote Similarity NPD8320 Phase 1
0.6717 Remote Similarity NPD8319 Approved
0.6707 Remote Similarity NPD6028 Clinical (unspecified phase)
0.6707 Remote Similarity NPD6029 Clinical (unspecified phase)
0.6706 Remote Similarity NPD3750 Approved
0.6706 Remote Similarity NPD8166 Discontinued
0.6706 Remote Similarity NPD3892 Phase 2
0.6702 Remote Similarity NPD7309 Approved
0.6688 Remote Similarity NPD5125 Phase 3
0.6688 Remote Similarity NPD6516 Phase 2
0.6688 Remote Similarity NPD5846 Approved
0.6688 Remote Similarity NPD6671 Approved
0.6688 Remote Similarity NPD5126 Approved
0.6687 Remote Similarity NPD7095 Approved
0.6686 Remote Similarity NPD8158 Clinical (unspecified phase)
0.6686 Remote Similarity NPD1549 Phase 2
0.6685 Remote Similarity NPD6374 Clinical (unspecified phase)
0.6684 Remote Similarity NPD8453 Clinical (unspecified phase)
0.6683 Remote Similarity NPD7801 Approved
0.6667 Remote Similarity NPD27 Approved
0.6667 Remote Similarity NPD5403 Approved
0.6667 Remote Similarity NPD7945 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2489 Approved
0.6667 Remote Similarity NPD7699 Phase 2
0.6667 Remote Similarity NPD7700 Phase 2
0.6648 Remote Similarity NPD3051 Approved
0.6647 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6647 Remote Similarity NPD5177 Phase 3

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3409095
ZINC  

Physicochemical Properties

Molecular Weight:  738.18
ALogP:  -6.5516
MLogP:  3.55
XLogP:  -0.503
# Rotatable Bonds:  17
Polar Surface Area:  288.91
# H-Bond Aceptor:  7
# H-Bond Donor:  12
# Rings:  8
# Heavy Atoms:  53

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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