Natural Product: NPC239584

Natural Product ID:  NPC239584
Common Name:   Trilobine
IUPAC Name:  
Synonyms:   (+)-N-Methyltelobine; Trilobine
Molecular Formula:   C35H34N2O5
Standard InCHIKey:  XZAXGQMTBGFTFE-SVBPBHIXSA-N
Standard InCHI:  InChI=1S/C35H34N2O5/c1-37-13-11-22-17-30-31-19-25(22)27(37)15-21-6-9-28(38-2)29(16-21)40-24-7-4-20(5-8-24)14-26-33-23(10-12-36-26)18-32(39-3)34(41-30)35(33)42-31/h4-9,16-19,26-27,36H,10-15H2,1-3H3/t26-,27-/m0/s1
Canonical SMILES:  COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1NCCc3c1c1Oc4cc5[C@H](C2)N(C)CCc5cc4Oc1c(c3)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
NPO27216 Oreodaphne porosa NA NA NA UNPD*
NPO12565 Hypericum polyanthemum Species Hypericaceae Eukaryota UNPD*
NPO26332 Ramalina tumidula Species Ramalinaceae Eukaryota UNPD*
NPO865 Dendrobium loddigesii Species Orchidaceae Eukaryota UNPD*
NPO27646 Cystoseira baccata Species Sargassaceae Eukaryota UNPD*
NPO27666 Sophora tetraptera Species Fabaceae Eukaryota UNPD*
NPO23450 Chionographis japonica Species Melanthiaceae Eukaryota UNPD*
NPO1815 Breonia chinensis Species Rubiaceae Eukaryota UNPD*
NPO11576 Glycosmis macrophylla Species Rutaceae Eukaryota UNPD*
NPO27468 Rhizopogon roseolus Species Rhizopogonaceae Eukaryota UNPD*
NPO23384 Rhodiola semenovii Species Crassulaceae Eukaryota UNPD*
NPO25388 Siliquariaspongia japonica NA NA NA UNPD*
NPO27686 Aglaia odorata Species Meliaceae Eukaryota UNPD*
NPO27869 Bombacopsis glabra NA NA NA UNPD*
NPO4758 Radix stephaniae cepharanthae Species Lymnaeidae Eukaryota TCMSP*
NPO1257 Distephanus angulifolius Species Asteraceae Eukaryota UNPD*
NPO1698 Glycyrrhiza inflata Species Fabaceae Eukaryota UNPD*
NPO10922 Pentaclethra macrophylla Species Fabaceae Eukaryota UNPD*
NPO10605 Tristania conferta Species Myrtaceae Eukaryota UNPD*
NPO18354 Meiothermus ruber Species Thermaceae Bacteria UNPD*
NPO5043 Eria japonica Species Orchidaceae Eukaryota UNPD*
NPO27726 Diplocarpon mali Species Dermateaceae Eukaryota UNPD*
NPO21720 Talaromyces variabilis Species Trichocomaceae Eukaryota UNPD*
NPO12796 Periploca sepium Species Apocynaceae Eukaryota UNPD*
NPO6289 Ceropegia dichotoma Species Apocynaceae Eukaryota UNPD*
NPO9704 Sonneratia caseolaris Species Lythraceae Eukaryota UNPD*
NPO6730 Crossopteryx febrifuga Species Rubiaceae Eukaryota UNPD*
NPO27838 Rebutia marsoneri Species Cactaceae Eukaryota UNPD*
NPO526 Salvia sessei Species Lamiaceae Eukaryota UNPD*
NPO11843 Stephania zippeliana Species Menispermaceae Eukaryota UNPD*
NPO6731 Ononis spinosa Species Fabaceae Eukaryota UNPD*
NPO27803 Cercidiphyllum japonicum Species Cercidiphyllaceae Eukaryota UNPD*
NPO9319 Pterocaulon virgatum Species Asteraceae Eukaryota UNPD*
NPO26964 Stephania erecta Species Menispermaceae Eukaryota tubers PMID[8450319]
NPO12170 Solanum lasiocarpum Species Solanaceae Eukaryota UNPD*
NPO13135 Campylotropis hirtella Species Fabaceae Eukaryota UNPD*
NPO12091 Martensia denticulata Species Delesseriaceae Eukaryota UNPD*
NPO96 Rhododendron capitatum Species Ericaceae Eukaryota UNPD*
NPO27931 Caulerpa taxifolia Species Caulerpaceae Eukaryota UNPD*
NPO27522 Gongronella urceolifera Species Cunninghamellaceae Eukaryota UNPD*
NPO7389 Rhodiola atuntsuensis Species Crassulaceae Eukaryota UNPD*
NPO27739 Erythrina mildbraedii Species Fabaceae Eukaryota UNPD*
NPO27976 Astragalus wootoni Species Fabaceae Eukaryota UNPD*
NPO3873 Crotalaria candicans Species Fabaceae Eukaryota UNPD*
NPO22691 Mentha cardiaca Species Lamiaceae Eukaryota UNPD*
NPO9532 Vernonia cistifolia Species Asteraceae Eukaryota UNPD*
NPO27703 Eclipta erecta Species Cerambycidae Eukaryota UNPD*
NPO7822.1 Eucalyptus globulus subsp. bicostata Subspecies Myrtaceae Eukaryota UNPD*
NPO27617 Phoenix dactylifera Species Arecaceae Eukaryota UNPD*
NPO1516 Passiflora suberosa Species Passifloraceae Eukaryota UNPD*
NPO11190 Veronica polita Species Plantaginaceae Eukaryota UNPD*
NPO5156 Hypoestes rosea Species Acanthaceae Eukaryota UNPD*
NPO5456 Juniperus drupacea Species Cupressaceae Eukaryota UNPD*
NPO7773 Crinum moorei Species Amaryllidaceae Eukaryota UNPD*
NPO12205 Eucalyptus apodophylla Species Myrtaceae Eukaryota UNPD*
NPO8934 Gypsophila perfoliata Species Caryophyllaceae Eukaryota UNPD*
NPO24372 Artemisia palustris Species Asteraceae Eukaryota UNPD*
NPO10638 Plectranthus myrianthus Species Lamiaceae Eukaryota UNPD*
NPO19931 Pyrus x nivalis Species Rosaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified ED50 = 1 ug/ml 9392886
NPT2 Others Unspecified Activity = 0.17 9392886
NPT2 Others Unspecified Activity = 0.13 9392886
NPT2 Others Unspecified Activity = 0.1 9392886
NPT2 Others Unspecified Activity = 0.05 9392886
NPT2 Others Unspecified Activity = 2 9392886
NPT2 Others Unspecified Activity = 1.5 9392886
NPT2 Others Unspecified Activity = 1 9392886
NPT91 Cell Line KB Homo sapiens ED50 = 8300 nM 9917283
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 169 nM 9917283
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 451 nM 9917283

  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 NPC239584 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
0.9939 High Similarity NPC475479
0.9939 High Similarity NPC243454
0.9693 High Similarity NPC129518
0.9693 High Similarity NPC12424
0.9693 High Similarity NPC41376
0.9693 High Similarity NPC251580
0.9632 High Similarity NPC76682
0.9632 High Similarity NPC317439
0.9632 High Similarity NPC227060
0.9632 High Similarity NPC317145
0.9632 High Similarity NPC198498
0.9632 High Similarity NPC10908
0.9632 High Similarity NPC276890
0.9632 High Similarity NPC63646
0.9632 High Similarity NPC115284
0.9588 High Similarity NPC191132
0.9588 High Similarity NPC60295
0.9529 High Similarity NPC175890
0.9529 High Similarity NPC274661
0.9529 High Similarity NPC281581
0.9529 High Similarity NPC11296
0.9529 High Similarity NPC48490
0.9529 High Similarity NPC82457
0.9477 High Similarity NPC256124
0.9458 High Similarity NPC293093
0.9294 High Similarity NPC167116
0.9294 High Similarity NPC274716
0.9294 High Similarity NPC254441
0.9264 High Similarity NPC475393
0.9235 High Similarity NPC279228
0.9235 High Similarity NPC258657
0.9235 High Similarity NPC290582
0.9235 High Similarity NPC15414
0.9235 High Similarity NPC104196
0.9235 High Similarity NPC182052
0.9235 High Similarity NPC73492
0.9235 High Similarity NPC271013
0.9235 High Similarity NPC42663
0.9235 High Similarity NPC223690
0.9235 High Similarity NPC229373
0.9235 High Similarity NPC185639
0.9235 High Similarity NPC299990
0.9235 High Similarity NPC328155
0.9235 High Similarity NPC8836
0.9235 High Similarity NPC222661
0.9235 High Similarity NPC285931
0.9235 High Similarity NPC311973
0.9235 High Similarity NPC217748
0.9235 High Similarity NPC290005
0.9235 High Similarity NPC7715
0.9235 High Similarity NPC54654
0.9235 High Similarity NPC49075
0.9235 High Similarity NPC239824
0.9235 High Similarity NPC90998
0.9235 High Similarity NPC181796
0.9235 High Similarity NPC251735
0.9186 High Similarity NPC65312
0.9186 High Similarity NPC139783
0.9176 High Similarity NPC286119
0.9128 High Similarity NPC16357
0.9128 High Similarity NPC302245
0.9128 High Similarity NPC95426
0.9123 High Similarity NPC30779
0.9075 High Similarity NPC116465
0.9075 High Similarity NPC212237
0.907 High Similarity NPC302275
0.9023 High Similarity NPC22115
0.9023 High Similarity NPC275680
0.9017 High Similarity NPC249996
0.8971 High Similarity NPC206900
0.8957 High Similarity NPC25084
0.8957 High Similarity NPC247639
0.8953 High Similarity NPC195538
0.892 High Similarity NPC475597
0.892 High Similarity NPC473716
0.8902 High Similarity NPC476202
0.887 High Similarity NPC24260
0.8857 High Similarity NPC14507
0.8857 High Similarity NPC47077
0.8824 High Similarity NPC475215
0.8824 High Similarity NPC108434
0.8764 High Similarity NPC478093
0.8715 High Similarity NPC478092
0.8715 High Similarity NPC478091
0.8715 High Similarity NPC30182
0.8715 High Similarity NPC473589
0.8713 High Similarity NPC10871
0.8667 High Similarity NPC187022
0.8667 High Similarity NPC80129
0.8647 High Similarity NPC204947
0.8611 High Similarity NPC85381
0.8603 High Similarity NPC318805
0.8603 High Similarity NPC41122
0.8588 High Similarity NPC317272
0.8588 High Similarity NPC42549
0.8588 High Similarity NPC240841
0.8588 High Similarity NPC268503
0.8588 High Similarity NPC13916
0.8588 High Similarity NPC250846
0.8588 High Similarity NPC256012
0.8588 High Similarity NPC264850
0.8579 High Similarity NPC475654
0.8541 High Similarity NPC254581
0.8529 High Similarity NPC24465
0.8523 High Similarity NPC257269
0.8523 High Similarity NPC230276
0.8516 High Similarity NPC234318
0.8512 High Similarity NPC7393
0.8488 Intermediate Similarity NPC204908
0.8488 Intermediate Similarity NPC83198
0.8466 Intermediate Similarity NPC106295
0.8466 Intermediate Similarity NPC476144
0.8466 Intermediate Similarity NPC40496
0.8466 Intermediate Similarity NPC210437
0.8466 Intermediate Similarity NPC51957
0.8466 Intermediate Similarity NPC119068
0.8466 Intermediate Similarity NPC16107
0.8415 Intermediate Similarity NPC7467
0.8362 Intermediate Similarity NPC474507
0.8343 Intermediate Similarity NPC152680
0.8343 Intermediate Similarity NPC232386
0.8343 Intermediate Similarity NPC190783
0.8333 Intermediate Similarity NPC123323
0.8333 Intermediate Similarity NPC109925
0.8315 Intermediate Similarity NPC474506
0.8315 Intermediate Similarity NPC32413
0.8314 Intermediate Similarity NPC4138
0.8314 Intermediate Similarity NPC284183
0.8314 Intermediate Similarity NPC121275
0.8305 Intermediate Similarity NPC23219
0.8266 Intermediate Similarity NPC223077
0.8266 Intermediate Similarity NPC193853
0.8266 Intermediate Similarity NPC56887
0.8258 Intermediate Similarity NPC470879
0.8258 Intermediate Similarity NPC258695
0.8249 Intermediate Similarity NPC148709
0.8249 Intermediate Similarity NPC173416
0.8249 Intermediate Similarity NPC476577
0.8249 Intermediate Similarity NPC112575
0.8221 Intermediate Similarity NPC476567
0.8221 Intermediate Similarity NPC128019
0.8221 Intermediate Similarity NPC136860
0.8214 Intermediate Similarity NPC114124
0.8208 Intermediate Similarity NPC209377
0.8176 Intermediate Similarity NPC203784
0.8176 Intermediate Similarity NPC170503
0.8176 Intermediate Similarity NPC126519
0.8129 Intermediate Similarity NPC476572
0.8118 Intermediate Similarity NPC193949
0.8118 Intermediate Similarity NPC54379
0.8118 Intermediate Similarity NPC207757
0.8118 Intermediate Similarity NPC278799
0.8118 Intermediate Similarity NPC127674
0.8118 Intermediate Similarity NPC39701
0.8118 Intermediate Similarity NPC172765
0.8118 Intermediate Similarity NPC189266
0.8118 Intermediate Similarity NPC276588
0.8118 Intermediate Similarity NPC2413
0.8118 Intermediate Similarity NPC295691
0.8118 Intermediate Similarity NPC138487
0.8118 Intermediate Similarity NPC325871
0.8118 Intermediate Similarity NPC204828
0.8118 Intermediate Similarity NPC99659
0.8118 Intermediate Similarity NPC249797
0.8118 Intermediate Similarity NPC216459
0.8118 Intermediate Similarity NPC184026
0.8118 Intermediate Similarity NPC5238
0.8118 Intermediate Similarity NPC41178
0.8118 Intermediate Similarity NPC110416
0.8118 Intermediate Similarity NPC469817
0.8098 Intermediate Similarity NPC328750
0.8098 Intermediate Similarity NPC188163
0.8098 Intermediate Similarity NPC475754
0.8098 Intermediate Similarity NPC213206
0.8098 Intermediate Similarity NPC474915
0.8079 Intermediate Similarity NPC149090
0.8079 Intermediate Similarity NPC239775
0.8079 Intermediate Similarity NPC19520
0.807 Intermediate Similarity NPC146288
0.8061 Intermediate Similarity NPC38964
0.8059 Intermediate Similarity NPC2295
0.8059 Intermediate Similarity NPC477564
0.8054 Intermediate Similarity NPC476565
0.8037 Intermediate Similarity NPC314682
0.8036 Intermediate Similarity NPC92541
0.8036 Intermediate Similarity NPC207824
0.8036 Intermediate Similarity NPC60538
0.8035 Intermediate Similarity NPC205255
0.8035 Intermediate Similarity NPC235143
0.8035 Intermediate Similarity NPC271388
0.8035 Intermediate Similarity NPC119649
0.8035 Intermediate Similarity NPC230956
0.8034 Intermediate Similarity NPC66341
0.8034 Intermediate Similarity NPC477020
0.8034 Intermediate Similarity NPC192135
0.8033 Intermediate Similarity NPC57036
0.8023 Intermediate Similarity NPC118274
0.8023 Intermediate Similarity NPC69712
0.8023 Intermediate Similarity NPC477562
0.8023 Intermediate Similarity NPC168753

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC239584 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
0.9632 High Similarity NPD8252 Approved
0.9632 High Similarity NPD8099 Discontinued
0.9632 High Similarity NPD8251 Approved
0.9573 High Similarity NPD8156 Discontinued
0.9235 High Similarity NPD8053 Approved
0.9235 High Similarity NPD8054 Approved
0.8667 High Similarity NPD7298 Approved
0.8626 High Similarity NPD8095 Phase 1
0.8466 Intermediate Similarity NPD8453 Clinical (unspecified phase)
0.8466 Intermediate Similarity NPD4584 Approved
0.8402 Intermediate Similarity NPD6788 Approved
0.8242 Intermediate Similarity NPD1424 Approved
0.8144 Intermediate Similarity NPD6030 Approved
0.8144 Intermediate Similarity NPD6031 Approved
0.8098 Intermediate Similarity NPD4664 Clinical (unspecified phase)
0.7941 Intermediate Similarity NPD7261 Clinical (unspecified phase)
0.7898 Intermediate Similarity NPD6107 Approved
0.7857 Intermediate Similarity NPD7598 Phase 2
0.7849 Intermediate Similarity NPD4773 Phase 2
0.7849 Intermediate Similarity NPD4772 Phase 2
0.7778 Intermediate Similarity NPD7667 Clinical (unspecified phase)
0.7771 Intermediate Similarity NPD7045 Clinical (unspecified phase)
0.7697 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.7697 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.7657 Intermediate Similarity NPD6818 Clinical (unspecified phase)
0.7654 Intermediate Similarity NPD6071 Discontinued
0.7633 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7588 Intermediate Similarity NPD7124 Phase 2
0.7571 Intermediate Similarity NPD4581 Clinical (unspecified phase)
0.7557 Intermediate Similarity NPD4585 Approved
0.7556 Intermediate Similarity NPD3051 Approved
0.7553 Intermediate Similarity NPD7906 Approved
0.7542 Intermediate Similarity NPD5677 Discontinued
0.7542 Intermediate Similarity NPD7201 Clinical (unspecified phase)
0.7529 Intermediate Similarity NPD4017 Approved
0.7528 Intermediate Similarity NPD7832 Clinical (unspecified phase)
0.7528 Intermediate Similarity NPD7833 Phase 2
0.7528 Intermediate Similarity NPD7831 Phase 2
0.7514 Intermediate Similarity NPD3641 Approved
0.7514 Intermediate Similarity NPD3639 Approved
0.7514 Intermediate Similarity NPD3640 Phase 3
0.75 Intermediate Similarity NPD7802 Discontinued
0.7473 Intermediate Similarity NPD4481 Phase 3
0.7459 Intermediate Similarity NPD4166 Phase 2
0.7457 Intermediate Similarity NPD3647 Clinical (unspecified phase)
0.743 Intermediate Similarity NPD4055 Discovery
0.7418 Intermediate Similarity NPD2970 Approved
0.7418 Intermediate Similarity NPD2969 Approved
0.7416 Intermediate Similarity NPD2560 Approved
0.7416 Intermediate Similarity NPD2563 Approved
0.7414 Intermediate Similarity NPD5976 Discontinued
0.7399 Intermediate Similarity NPD7447 Phase 1
0.7394 Intermediate Similarity NPD4474 Approved
0.7394 Intermediate Similarity NPD6851 Approved
0.7394 Intermediate Similarity NPD4475 Approved
0.7394 Intermediate Similarity NPD6853 Approved
0.738 Intermediate Similarity NPD7549 Discontinued
0.7368 Intermediate Similarity NPD6748 Discontinued
0.7366 Intermediate Similarity NPD6297 Approved
0.7341 Intermediate Similarity NPD3124 Discontinued
0.734 Intermediate Similarity NPD7310 Approved
0.734 Intermediate Similarity NPD7312 Approved
0.734 Intermediate Similarity NPD7311 Approved
0.734 Intermediate Similarity NPD7313 Approved
0.7333 Intermediate Similarity NPD5718 Phase 2
0.7321 Intermediate Similarity NPD2200 Suspended
0.7317 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD4162 Approved
0.7303 Intermediate Similarity NPD3383 Approved
0.7303 Intermediate Similarity NPD3384 Approved
0.7303 Intermediate Similarity NPD3382 Approved
0.7302 Intermediate Similarity NPD6618 Phase 2
0.7302 Intermediate Similarity NPD7309 Approved
0.7283 Intermediate Similarity NPD2489 Approved
0.7283 Intermediate Similarity NPD3845 Phase 1
0.7283 Intermediate Similarity NPD27 Approved
0.7273 Intermediate Similarity NPD5006 Approved
0.7273 Intermediate Similarity NPD6996 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD5005 Approved
0.7267 Intermediate Similarity NPD7466 Approved
0.7267 Intermediate Similarity NPD3977 Clinical (unspecified phase)
0.7258 Intermediate Similarity NPD5312 Approved
0.7258 Intermediate Similarity NPD5313 Approved
0.7249 Intermediate Similarity NPD4578 Approved
0.7249 Intermediate Similarity NPD4577 Approved
0.7241 Intermediate Similarity NPD7213 Phase 3
0.7241 Intermediate Similarity NPD7212 Phase 2
0.7232 Intermediate Similarity NPD8158 Clinical (unspecified phase)
0.7225 Intermediate Similarity NPD5160 Discontinued
0.7225 Intermediate Similarity NPD4663 Approved
0.7207 Intermediate Similarity NPD8153 Approved
0.7207 Intermediate Similarity NPD5720 Discontinued
0.7207 Intermediate Similarity NPD8152 Approved
0.72 Intermediate Similarity NPD1754 Clinical (unspecified phase)
0.7191 Intermediate Similarity NPD4675 Approved
0.7191 Intermediate Similarity NPD4678 Approved
0.7166 Intermediate Similarity NPD42 Phase 2
0.7166 Intermediate Similarity NPD6042 Phase 2
0.7158 Intermediate Similarity NPD2971 Approved
0.7158 Intermediate Similarity NPD2968 Approved
0.7135 Intermediate Similarity NPD4005 Discontinued
0.7135 Intermediate Similarity NPD1632 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD5241 Discontinued
0.7126 Intermediate Similarity NPD2677 Approved
0.7118 Intermediate Similarity NPD6896 Approved
0.7118 Intermediate Similarity NPD6111 Discontinued
0.7118 Intermediate Similarity NPD6895 Approved
0.711 Intermediate Similarity NPD3060 Approved
0.7107 Intermediate Similarity NPD6621 Clinical (unspecified phase)
0.7086 Intermediate Similarity NPD2422 Clinical (unspecified phase)
0.7086 Intermediate Similarity NPD6783 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD3532 Approved
0.7083 Intermediate Similarity NPD5087 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD3531 Approved
0.7083 Intermediate Similarity NPD3530 Approved
0.7081 Intermediate Similarity NPD4010 Discontinued
0.7071 Intermediate Similarity NPD4420 Approved
0.7066 Intermediate Similarity NPD2669 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD3489 Phase 3
0.7056 Intermediate Similarity NPD6072 Discontinued
0.7049 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD1774 Approved
0.7039 Intermediate Similarity NPD7827 Phase 1
0.7037 Intermediate Similarity NPD7479 Phase 2
0.7029 Intermediate Similarity NPD5084 Clinical (unspecified phase)
0.7022 Intermediate Similarity NPD2122 Discontinued
0.702 Intermediate Similarity NPD2973 Approved
0.702 Intermediate Similarity NPD2975 Approved
0.702 Intermediate Similarity NPD2974 Approved
0.7017 Intermediate Similarity NPD5722 Discontinued
0.701 Intermediate Similarity NPD7291 Discontinued
0.7005 Intermediate Similarity NPD2898 Approved
0.6978 Remote Similarity NPD5773 Approved
0.6978 Remote Similarity NPD5772 Approved
0.6978 Remote Similarity NPD7046 Clinical (unspecified phase)
0.6977 Remote Similarity NPD2156 Approved
0.6977 Remote Similarity NPD2155 Approved
0.6977 Remote Similarity NPD2154 Approved
0.6971 Remote Similarity NPD6658 Clinical (unspecified phase)
0.6968 Remote Similarity NPD5602 Clinical (unspecified phase)
0.6966 Remote Similarity NPD5261 Clinical (unspecified phase)
0.6966 Remote Similarity NPD7527 Clinical (unspecified phase)
0.6966 Remote Similarity NPD52 Approved
0.6966 Remote Similarity NPD7526 Approved
0.6959 Remote Similarity NPD2653 Approved
0.6954 Remote Similarity NPD7153 Discontinued
0.6954 Remote Similarity NPD1372 Clinical (unspecified phase)
0.695 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6949 Remote Similarity NPD2420 Approved
0.6949 Remote Similarity NPD2421 Approved
0.6944 Remote Similarity NPD6523 Clinical (unspecified phase)
0.6935 Remote Similarity NPD7034 Discontinued
0.6931 Remote Similarity NPD5940 Clinical (unspecified phase)
0.6927 Remote Similarity NPD7132 Clinical (unspecified phase)
0.6923 Remote Similarity NPD6812 Clinical (unspecified phase)
0.6923 Remote Similarity NPD7945 Clinical (unspecified phase)
0.6919 Remote Similarity NPD5709 Phase 3
0.6915 Remote Similarity NPD4580 Approved
0.6914 Remote Similarity NPD5177 Phase 3
0.691 Remote Similarity NPD4123 Phase 3
0.6905 Remote Similarity NPD3537 Clinical (unspecified phase)
0.6888 Remote Similarity NPD2845 Phase 2
0.6888 Remote Similarity NPD2843 Phase 2
0.6885 Remote Similarity NPD2978 Approved
0.6885 Remote Similarity NPD2977 Approved
0.6882 Remote Similarity NPD4666 Phase 3
0.6882 Remote Similarity NPD554 Clinical (unspecified phase)
0.6881 Remote Similarity NPD3452 Approved
0.6881 Remote Similarity NPD3450 Approved
0.6881 Remote Similarity NPD2493 Approved
0.6881 Remote Similarity NPD2494 Approved
0.6868 Remote Similarity NPD7110 Phase 1
0.6868 Remote Similarity NPD7109 Clinical (unspecified phase)
0.6868 Remote Similarity NPD5090 Approved
0.6868 Remote Similarity NPD5089 Approved
0.6867 Remote Similarity NPD7258 Clinical (unspecified phase)
0.6862 Remote Similarity NPD5242 Approved
0.6854 Remote Similarity NPD6087 Phase 1
0.6853 Remote Similarity NPD2488 Approved
0.6853 Remote Similarity NPD2490 Approved
0.6853 Remote Similarity NPD5525 Clinical (unspecified phase)
0.6842 Remote Similarity NPD3109 Approved
0.6842 Remote Similarity NPD5708 Clinical (unspecified phase)
0.6842 Remote Similarity NPD3110 Approved
0.684 Remote Similarity NPD8318 Clinical (unspecified phase)
0.6839 Remote Similarity NPD3156 Discontinued
0.6833 Remote Similarity NPD4727 Phase 1
0.6832 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6832 Remote Similarity NPD5457 Discontinued
0.6831 Remote Similarity NPD1769 Discontinued
0.6824 Remote Similarity NPD1336 Approved
0.6822 Remote Similarity NPD6997 Phase 2
0.6818 Remote Similarity NPD5061 Approved
0.6818 Remote Similarity NPD2460 Phase 3
0.6818 Remote Similarity NPD2458 Approved
0.6818 Remote Similarity NPD4237 Approved
0.6818 Remote Similarity NPD5062 Approved
0.6818 Remote Similarity NPD4236 Phase 3
0.6818 Remote Similarity NPD2459 Approved
0.6816 Remote Similarity NPD4160 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   169007
ChEMBL   CHEMBL500324
ZINC  

Physicochemical Properties

Molecular Weight:  562.25
ALogP:  -0.3124
MLogP:  4.54
XLogP:  5.839
# Rotatable Bonds:  5
Polar Surface Area:  61.42
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  7
# Heavy Atoms:  42

Download Data

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