Natural Product: NPC258780

Natural Product ID:  NPC258780
Common Name:   4,4'-Dimethoxy-9,9',10,10'-Tetrahydro-1,1'-Biphenanthrene-2,2',7,7'-Tetraol
IUPAC Name:   1-(2,7-dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-4-methoxy-9,10-dihydrophenanthrene-2,7-diol
Synonyms:  
Molecular Formula:   C30H26O6
Standard InCHIKey:  OZZPAAPLZANUHM-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C30H26O6/c1-35-25-13-23(33)29(21-7-3-15-11-17(31)5-9-19(15)27(21)25)30-22-8-4-16-12-18(32)6-10-20(16)28(22)26(36-2)14-24(30)34/h5-6,9-14,31-34H,3-4,7-8H2,1-2H3
Canonical SMILES:  COc1cc(O)c(c2c1c1ccc(cc1CC2)O)c1c(O)cc(c2c1CCc1c2ccc(c1)O)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
NPO3116 Clathria pyramida Species Microcionidae Eukaryota UNPD*
NPO7186 Hypogymnia enteromorpha Species Parmeliaceae Eukaryota UNPD*
NPO8787 Ariocarpus scapharostrus Species Cactaceae Eukaryota UNPD*
NPO3197 Polyporus confluens Species Polyporaceae Eukaryota UNPD*
NPO2128 Lebeckia plukenetiana Species Fabaceae Eukaryota UNPD*
NPO16226 Prinsepia utilis Species Rosaceae Eukaryota UNPD*
NPO13975 Calanthe arisanensis Species Orchidaceae Eukaryota PMID[19193043]
NPO26581 Cyperus pilosus Species Cyperaceae Eukaryota UNPD*
NPO8774 Walsura cochinchinensis Species Meliaceae Eukaryota UNPD*
NPO11893 Telesto riisei Species Telestidae Eukaryota UNPD*
NPO13319 Isodon lungshengensis Species Lamiaceae Eukaryota UNPD*
NPO6224 Grindelia boliviana Species Asteraceae Eukaryota UNPD*
NPO14623 Senecio clevelandi Species Asteraceae Eukaryota UNPD*
NPO7126 Stachys glabra Species Lamiaceae Eukaryota UNPD*
NPO13913 Ravensara aromatica Species Lauraceae Eukaryota UNPD*
NPO15591 Tolpis webbii Species Asteraceae Eukaryota UNPD*
NPO13086 Streptomyces carzinostaticus Species Streptomycetaceae Bacteria UNPD*
NPO12919 Clibadium glabrescens Species Asteraceae Eukaryota UNPD*
NPO227 Sophora tomentosa Species Fabaceae Eukaryota UNPD*
NPO5822 Suberites massa Species Suberitidae Eukaryota UNPD*
NPO8734 Centaurea pabotii Species Asteraceae Eukaryota UNPD*
NPO5052 Physocarpus intermedius Species Rosaceae Eukaryota UNPD*
NPO13174 Aplophyllum suaveolens NA NA NA UNPD*
NPO10780 Bletilla striata Species Orchidaceae Eukaryota TCMSP*
NPO10780 Bletilla striata Species Orchidaceae Eukaryota TCM_Taiwan*
NPO9690 Sisymbrium austriacum Species Brassicaceae Eukaryota UNPD*
NPO26125 Pseudomonas corrugata Species Pseudomonadaceae Bacteria UNPD*
NPO13511 Monopteryx inpae Species Fabaceae Eukaryota UNPD*
NPO12597 Eria barbata Species Orchidaceae Eukaryota UNPD*
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota UNPD*
NPO8084 Axinyssa tethyoides Species Halichondriidae Eukaryota UNPD*
NPO14620 Sedum alfredi Species Crassulaceae Eukaryota UNPD*
NPO5001 Ramalina calicaris Species Ramalinaceae Eukaryota UNPD*
NPO7722 Amsonia tabernaemontana Species Apocynaceae Eukaryota UNPD*
NPO11479 Sargassum siliquastrum Species Sargassaceae Eukaryota UNPD*
NPO4664 Pteris vittata Species Pteridaceae Eukaryota UNPD*
NPO445 Desmarestia aculeata Species Desmarestiaceae Eukaryota UNPD*
NPO20398 Niphates digitalis Species Niphatidae Eukaryota UNPD*
NPO7189 Saraca asoca Species Fabaceae Eukaryota UNPD*
NPO3644 Climacoptera lanata Species Chenopodiaceae Eukaryota UNPD*
NPO3906 Securigera securidaca Species Fabaceae Eukaryota UNPD*
NPO14509 Stevia seleriana Species Asteraceae Eukaryota UNPD*
NPO4018 Dahlia merckii Species Asteraceae Eukaryota UNPD*
NPO2563 Marah oregana Species Cucurbitaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT81 Cell Line A549 Homo sapiens EC50 = 4.61 ug/ml 19193043
NPT306 Cell Line PC-3 Homo sapiens EC50 = 5.37 ug/ml 19193043
NPT90 Cell Line DU-145 Homo sapiens EC50 = 4.11 ug/ml 19193043
NPT180 Cell Line HCT-8 Homo sapiens EC50 = 4.6 ug/ml 19193043
NPT83 Cell Line MCF7 Homo sapiens EC50 = 3.5 ug/ml 19193043
NPT91 Cell Line KB Homo sapiens EC50 = 4.4 ug/ml 19193043
NPT2 Others Unspecified EC50 = 3.96 ug/ml 19193043

  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 NPC258780 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
0.9922 High Similarity NPC191462
0.9922 High Similarity NPC472648
0.9922 High Similarity NPC170328
0.9922 High Similarity NPC133463
0.9922 High Similarity NPC472647
0.9922 High Similarity NPC472649
0.9922 High Similarity NPC206525
0.9846 High Similarity NPC71465
0.9846 High Similarity NPC472646
0.9845 High Similarity NPC37410
0.9697 High Similarity NPC273623
0.9688 High Similarity NPC282508
0.9609 High Similarity NPC254000
0.938 High Similarity NPC471518
0.938 High Similarity NPC471519
0.9302 High Similarity NPC215300
0.9302 High Similarity NPC38017
0.9297 High Similarity NPC170485
0.9237 High Similarity NPC473309
0.9225 High Similarity NPC53781
0.9219 High Similarity NPC105718
0.9219 High Similarity NPC278955
0.9219 High Similarity NPC113495
0.9209 High Similarity NPC262297
0.9141 High Similarity NPC228503
0.9141 High Similarity NPC138248
0.9137 High Similarity NPC126291
0.9124 High Similarity NPC183709
0.9111 High Similarity NPC266006
0.9091 High Similarity NPC471517
0.9077 High Similarity NPC473221
0.907 High Similarity NPC105031
0.9 High Similarity NPC215678
0.9 High Similarity NPC274454
0.9 High Similarity NPC82299
0.8978 High Similarity NPC12668
0.8978 High Similarity NPC308768
0.8963 High Similarity NPC472370
0.8936 High Similarity NPC174251
0.8936 High Similarity NPC153182
0.8906 High Similarity NPC476633
0.8905 High Similarity NPC243759
0.8905 High Similarity NPC275061
0.8905 High Similarity NPC218131
0.8905 High Similarity NPC132804
0.8905 High Similarity NPC105847
0.8905 High Similarity NPC220344
0.8905 High Similarity NPC243996
0.8897 High Similarity NPC202846
0.8897 High Similarity NPC143139
0.8897 High Similarity NPC205442
0.8881 High Similarity NPC303144
0.8849 High Similarity NPC175838
0.8832 High Similarity NPC242715
0.8832 High Similarity NPC56329
0.8832 High Similarity NPC151656
0.8832 High Similarity NPC230919
0.8832 High Similarity NPC22902
0.8832 High Similarity NPC200935
0.8832 High Similarity NPC266453
0.8828 High Similarity NPC102639
0.8824 High Similarity NPC125579
0.8824 High Similarity NPC15109
0.8824 High Similarity NPC11727
0.8824 High Similarity NPC241241
0.8824 High Similarity NPC10314
0.8824 High Similarity NPC200557
0.8824 High Similarity NPC294884
0.8824 High Similarity NPC108198
0.8824 High Similarity NPC69029
0.8824 High Similarity NPC158142
0.8815 High Similarity NPC469610
0.8806 High Similarity NPC160623
0.8806 High Similarity NPC8899
0.8777 High Similarity NPC472089
0.8768 High Similarity NPC79622
0.8768 High Similarity NPC212942
0.8768 High Similarity NPC29868
0.8759 High Similarity NPC30632
0.8759 High Similarity NPC471522
0.8759 High Similarity NPC476391
0.8759 High Similarity NPC141717
0.875 High Similarity NPC118000
0.875 High Similarity NPC125649
0.875 High Similarity NPC205501
0.875 High Similarity NPC473107
0.875 High Similarity NPC162976
0.875 High Similarity NPC160697
0.8741 High Similarity NPC469611
0.8732 High Similarity NPC14468
0.8714 High Similarity NPC472088
0.8714 High Similarity NPC472087
0.8705 High Similarity NPC20520
0.8705 High Similarity NPC34431
0.8705 High Similarity NPC174787
0.8705 High Similarity NPC472090
0.8705 High Similarity NPC472092
0.8705 High Similarity NPC213607
0.8705 High Similarity NPC472091
0.8705 High Similarity NPC73505
0.8705 High Similarity NPC182509
0.8705 High Similarity NPC295719
0.8705 High Similarity NPC61783
0.8705 High Similarity NPC165026
0.8696 High Similarity NPC470308
0.8696 High Similarity NPC470307
0.8686 High Similarity NPC111655
0.8686 High Similarity NPC313081
0.8671 High Similarity NPC112819
0.8671 High Similarity NPC133209
0.8671 High Similarity NPC6702
0.8671 High Similarity NPC111134
0.8667 High Similarity NPC149337
0.8667 High Similarity NPC237424
0.8667 High Similarity NPC15543
0.8667 High Similarity NPC238168
0.8667 High Similarity NPC471983
0.8657 High Similarity NPC16577
0.8633 High Similarity NPC55947
0.8633 High Similarity NPC184613
0.863 High Similarity NPC120633
0.863 High Similarity NPC473018
0.8621 High Similarity NPC218801
0.8613 High Similarity NPC476615
0.8613 High Similarity NPC476617
0.8613 High Similarity NPC71372
0.8613 High Similarity NPC476616
0.8605 High Similarity NPC103916
0.8594 High Similarity NPC131118
0.8582 High Similarity NPC38664
0.8582 High Similarity NPC53986
0.8571 High Similarity NPC145659
0.8571 High Similarity NPC9292
0.8561 High Similarity NPC73535
0.8561 High Similarity NPC90615
0.8561 High Similarity NPC25111
0.8561 High Similarity NPC272157
0.8561 High Similarity NPC201145
0.8561 High Similarity NPC6262
0.8552 High Similarity NPC107862
0.8552 High Similarity NPC122980
0.8552 High Similarity NPC180605
0.8552 High Similarity NPC177172
0.8552 High Similarity NPC148516
0.855 High Similarity NPC77789
0.855 High Similarity NPC18128
0.854 High Similarity NPC77196
0.8531 High Similarity NPC149633
0.8529 High Similarity NPC164804
0.8529 High Similarity NPC293203
0.8529 High Similarity NPC211413
0.8529 High Similarity NPC244888
0.8529 High Similarity NPC68205
0.8529 High Similarity NPC472590
0.8529 High Similarity NPC118683
0.8527 High Similarity NPC184302
0.8521 High Similarity NPC163508
0.8521 High Similarity NPC173203
0.8519 High Similarity NPC96719
0.8519 High Similarity NPC222108
0.8519 High Similarity NPC134360
0.8519 High Similarity NPC93962
0.8516 High Similarity NPC33270
0.8516 High Similarity NPC244816
0.8516 High Similarity NPC50521
0.8516 High Similarity NPC221549
0.8516 High Similarity NPC474933
0.8516 High Similarity NPC69261
0.8516 High Similarity NPC195466
0.8511 High Similarity NPC100482
0.8511 High Similarity NPC277331
0.8511 High Similarity NPC265075
0.8507 High Similarity NPC471986
0.8507 High Similarity NPC46978
0.85 High Similarity NPC114171
0.85 High Similarity NPC230124
0.85 High Similarity NPC6300
0.85 High Similarity NPC32630
0.8496 Intermediate Similarity NPC28476
0.8496 Intermediate Similarity NPC293801
0.8496 Intermediate Similarity NPC133407
0.8489 Intermediate Similarity NPC476639
0.8489 Intermediate Similarity NPC300846
0.8489 Intermediate Similarity NPC114155
0.8478 Intermediate Similarity NPC209199
0.8472 Intermediate Similarity NPC176804
0.8472 Intermediate Similarity NPC71686
0.8467 Intermediate Similarity NPC218884
0.8467 Intermediate Similarity NPC14224
0.8467 Intermediate Similarity NPC228843
0.8467 Intermediate Similarity NPC161958
0.8462 Intermediate Similarity NPC36732
0.8462 Intermediate Similarity NPC304894
0.8462 Intermediate Similarity NPC475492
0.8462 Intermediate Similarity NPC15659
0.8456 Intermediate Similarity NPC126836
0.8456 Intermediate Similarity NPC472369
0.8451 Intermediate Similarity NPC277784
0.8451 Intermediate Similarity NPC186033
0.845 Intermediate Similarity NPC63010

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC258780 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
0.8731 High Similarity NPD4907 Clinical (unspecified phase)
0.8657 High Similarity NPD4625 Phase 3
0.8582 High Similarity NPD4908 Phase 1
0.8074 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.8065 Intermediate Similarity NPD6959 Discontinued
0.806 Intermediate Similarity NPD1610 Phase 2
0.7986 Intermediate Similarity NPD3027 Phase 3
0.7941 Intermediate Similarity NPD4749 Approved
0.7914 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7905 Intermediate Similarity NPD7390 Discontinued
0.7899 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7895 Intermediate Similarity NPD1548 Phase 1
0.7842 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7817 Intermediate Similarity NPD1613 Approved
0.7817 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7801 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7785 Intermediate Similarity NPD6232 Discontinued
0.7755 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7714 Intermediate Similarity NPD2861 Phase 2
0.7708 Intermediate Similarity NPD4097 Suspended
0.7703 Intermediate Similarity NPD7003 Approved
0.7692 Intermediate Similarity NPD7768 Phase 2
0.7683 Intermediate Similarity NPD8453 Clinical (unspecified phase)
0.7647 Intermediate Similarity NPD4626 Approved
0.764 Intermediate Similarity NPD7473 Discontinued
0.7616 Intermediate Similarity NPD7447 Phase 1
0.7597 Intermediate Similarity NPD2342 Discontinued
0.7569 Intermediate Similarity NPD4060 Phase 1
0.755 Intermediate Similarity NPD7213 Phase 3
0.755 Intermediate Similarity NPD7212 Phase 2
0.755 Intermediate Similarity NPD7041 Phase 2
0.755 Intermediate Similarity NPD7040 Clinical (unspecified phase)
0.7546 Intermediate Similarity NPD5844 Phase 1
0.75 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD37 Approved
0.75 Intermediate Similarity NPD6696 Suspended
0.7481 Intermediate Similarity NPD4750 Phase 3
0.7469 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7467 Intermediate Similarity NPD3750 Approved
0.7465 Intermediate Similarity NPD3018 Phase 2
0.7453 Intermediate Similarity NPD7229 Phase 3
0.7445 Intermediate Similarity NPD1651 Approved
0.7444 Intermediate Similarity NPD7635 Approved
0.7432 Intermediate Similarity NPD6100 Approved
0.7432 Intermediate Similarity NPD5405 Approved
0.7432 Intermediate Similarity NPD5408 Approved
0.7432 Intermediate Similarity NPD5404 Approved
0.7432 Intermediate Similarity NPD6099 Approved
0.7432 Intermediate Similarity NPD5406 Approved
0.7405 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7394 Intermediate Similarity NPD4624 Approved
0.7386 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7376 Intermediate Similarity NPD1283 Approved
0.7375 Intermediate Similarity NPD6234 Discontinued
0.7358 Intermediate Similarity NPD4966 Approved
0.7358 Intermediate Similarity NPD4965 Approved
0.7358 Intermediate Similarity NPD4967 Phase 2
0.7344 Intermediate Similarity NPD846 Approved
0.7344 Intermediate Similarity NPD940 Approved
0.7342 Intermediate Similarity NPD7819 Suspended
0.7342 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD7037 Approved
0.7319 Intermediate Similarity NPD5691 Approved
0.7315 Intermediate Similarity NPD2935 Discontinued
0.731 Intermediate Similarity NPD6812 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7305 Intermediate Similarity NPD2983 Phase 2
0.7305 Intermediate Similarity NPD2982 Phase 2
0.7305 Intermediate Similarity NPD1669 Approved
0.7286 Intermediate Similarity NPD1611 Approved
0.7286 Intermediate Similarity NPD422 Phase 1
0.7285 Intermediate Similarity NPD6674 Discontinued
0.7279 Intermediate Similarity NPD5124 Phase 1
0.7279 Intermediate Similarity NPD6671 Approved
0.7279 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD7228 Approved
0.7273 Intermediate Similarity NPD2534 Approved
0.7273 Intermediate Similarity NPD2533 Approved
0.7273 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD6584 Phase 3
0.7273 Intermediate Similarity NPD2532 Approved
0.7266 Intermediate Similarity NPD1242 Phase 1
0.7261 Intermediate Similarity NPD4380 Phase 2
0.7259 Intermediate Similarity NPD5283 Phase 1
0.7248 Intermediate Similarity NPD1510 Phase 2
0.7237 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7237 Intermediate Similarity NPD3892 Phase 2
0.7234 Intermediate Similarity NPD2981 Phase 2
0.7233 Intermediate Similarity NPD8455 Phase 2
0.723 Intermediate Similarity NPD1607 Approved
0.7219 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7218 Intermediate Similarity NPD5451 Approved
0.7215 Intermediate Similarity NPD7411 Suspended
0.7211 Intermediate Similarity NPD3620 Phase 2
0.7211 Intermediate Similarity NPD2238 Phase 2
0.7211 Intermediate Similarity NPD1240 Approved
0.7211 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7205 Intermediate Similarity NPD3749 Approved
0.7203 Intermediate Similarity NPD3094 Phase 2
0.7197 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7183 Intermediate Similarity NPD5327 Phase 3
0.7176 Intermediate Similarity NPD8054 Approved
0.7176 Intermediate Similarity NPD8053 Approved
0.7163 Intermediate Similarity NPD1281 Approved
0.7162 Intermediate Similarity NPD5735 Approved
0.7153 Intermediate Similarity NPD709 Approved
0.7152 Intermediate Similarity NPD6166 Phase 2
0.7152 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD2286 Discontinued
0.7133 Intermediate Similarity NPD4108 Discontinued
0.7133 Intermediate Similarity NPD3748 Approved
0.7133 Intermediate Similarity NPD8651 Approved
0.7133 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7132 Intermediate Similarity NPD1398 Phase 1
0.7132 Intermediate Similarity NPD4869 Clinical (unspecified phase)
0.7124 Intermediate Similarity NPD7466 Approved
0.7122 Intermediate Similarity NPD3091 Approved
0.7117 Intermediate Similarity NPD6746 Phase 2
0.7113 Intermediate Similarity NPD2232 Approved
0.7113 Intermediate Similarity NPD2233 Approved
0.7113 Intermediate Similarity NPD2230 Approved
0.711 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD7340 Approved
0.7095 Intermediate Similarity NPD2979 Phase 3
0.7095 Intermediate Similarity NPD4140 Approved
0.7073 Intermediate Similarity NPD7199 Phase 2
0.7063 Intermediate Similarity NPD6583 Phase 3
0.7063 Intermediate Similarity NPD6582 Phase 2
0.7063 Intermediate Similarity NPD1934 Approved
0.7059 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7054 Intermediate Similarity NPD3020 Approved
0.7051 Intermediate Similarity NPD4160 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7042 Intermediate Similarity NPD3092 Approved
0.7039 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD3787 Discontinued
0.7019 Intermediate Similarity NPD2801 Approved
0.7018 Intermediate Similarity NPD8313 Approved
0.7018 Intermediate Similarity NPD8312 Approved
0.7 Intermediate Similarity NPD6353 Approved
0.7 Intermediate Similarity NPD6559 Discontinued
0.7 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD4579 Clinical (unspecified phase)
0.6993 Remote Similarity NPD1549 Phase 2
0.6988 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6987 Remote Similarity NPD1511 Approved
0.6985 Remote Similarity NPD228 Approved
0.6981 Remote Similarity NPD3226 Approved
0.6981 Remote Similarity NPD7458 Discontinued
0.6981 Remote Similarity NPD4005 Discontinued
0.6966 Remote Similarity NPD4339 Clinical (unspecified phase)
0.6964 Remote Similarity NPD7177 Discontinued
0.6964 Remote Similarity NPD8099 Discontinued
0.6964 Remote Similarity NPD8251 Approved
0.6964 Remote Similarity NPD8252 Approved
0.6963 Remote Similarity NPD3022 Approved
0.6963 Remote Similarity NPD3021 Approved
0.6954 Remote Similarity NPD4536 Approved
0.6954 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6954 Remote Similarity NPD4538 Approved
0.6953 Remote Similarity NPD2860 Approved
0.6953 Remote Similarity NPD2859 Approved
0.6943 Remote Similarity NPD7446 Clinical (unspecified phase)
0.6941 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6934 Remote Similarity NPD5535 Approved
0.6928 Remote Similarity NPD3540 Phase 1
0.6928 Remote Similarity NPD5762 Approved
0.6928 Remote Similarity NPD5763 Approved
0.6928 Remote Similarity NPD2029 Clinical (unspecified phase)
0.6923 Remote Similarity NPD3705 Approved
0.6923 Remote Similarity NPD8156 Discontinued
0.6914 Remote Similarity NPD1465 Phase 2
0.6914 Remote Similarity NPD5929 Approved
0.6901 Remote Similarity NPD3095 Discontinued
0.6901 Remote Similarity NPD3019 Approved
0.6901 Remote Similarity NPD7240 Approved
0.6901 Remote Similarity NPD4059 Approved
0.6899 Remote Similarity NPD1940 Clinical (unspecified phase)
0.6899 Remote Similarity NPD1512 Approved
0.6892 Remote Similarity NPD7095 Approved
0.689 Remote Similarity NPD7075 Discontinued
0.689 Remote Similarity NPD4055 Discovery
0.6886 Remote Similarity NPD8051 Clinical (unspecified phase)
0.6875 Remote Similarity NPD2934 Approved
0.6875 Remote Similarity NPD2933 Approved
0.6866 Remote Similarity NPD968 Approved
0.6863 Remote Similarity NPD2796 Approved
0.6863 Remote Similarity NPD3539 Phase 1
0.6863 Remote Similarity NPD2438 Suspended
0.686 Remote Similarity NPD7549 Discontinued
0.6859 Remote Similarity NPD5307 Clinical (unspecified phase)
0.6849 Remote Similarity NPD2797 Approved
0.6846 Remote Similarity NPD3764 Approved
0.6846 Remote Similarity NPD6798 Discontinued
0.6842 Remote Similarity NPD7097 Phase 1
0.6836 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6835 Remote Similarity NPD497 Approved

Structure

External Identifiers

PubChem CID   11317652
ChEMBL   CHEMBL564527
ZINC  

Physicochemical Properties

Molecular Weight:  482.17
ALogP:  -1.6952
MLogP:  4.1
XLogP:  4.56
# Rotatable Bonds:  9
Polar Surface Area:  99.38
# H-Bond Aceptor:  0
# H-Bond Donor:  4
# Rings:  6
# Heavy Atoms:  36

Download Data

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