Natural Product: NPC267753

Natural Product ID:  NPC267753
Common Name:   (3S,4R,4As,6As,6Br,8Ar,12Ar,12Bs,14As)-3-Hydroxy-4,4A,6B,8A,11,11,12B,14A-Octamethylicosahydropicen-2(6Bh)-One
IUPAC Name:   (3S,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-3-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-2-one
Synonyms:  
Molecular Formula:   C30H50O2
Standard InCHIKey:  VCKICINOBWSZNZ-ZWDSCLLQSA-N
Standard InCHI:  InChI=1S/C30H50O2/c1-19-24(32)20(31)17-22-27(19,5)10-9-21-28(22,6)14-16-30(8)23-18-25(2,3)11-12-26(23,4)13-15-29(21,30)7/h19,21-24,32H,9-18H2,1-8H3/t19-,21-,22+,23+,24-,26+,27+,28+,29+,30-/m0/s1
Canonical SMILES:  O=C1C[C@@H]2[C@]([C@H]([C@@H]1O)C)(C)CC[C@H]1[C@@]2(C)CC[C@@]2([C@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)C
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
NPO24150 Baptisia lecontii Species Fabaceae Eukaryota UNPD*
NPO26693 Daphne papyracea Species Thymelaeaceae Eukaryota UNPD*
NPO3419 Quercus suber Species Fagaceae Eukaryota UNPD*
NPO25783 Tulipa silvestris Species Liliaceae Eukaryota UNPD*
NPO27053 Maclura aurantiaca Species Moraceae Eukaryota UNPD*
NPO26683 Dichomitus squalens Species Polyporaceae Eukaryota UNPD*
NPO29444 Erigeron linifolius Species Asteraceae Eukaryota UNPD*
NPO26444 Mimosa invisa Species Fabaceae Eukaryota UNPD*
NPO26915 Erinus alpinus Species Plantaginaceae Eukaryota UNPD*
NPO29365 Baileya multiradiata Species Asteraceae Eukaryota UNPD*
NPO25729 Centaurea aemulans Species Asteraceae Eukaryota UNPD*
NPO2096 Stenostomum acutatum Species Rubiaceae Eukaryota UNPD*
NPO18404 Clarkia unguiculata Species Onagraceae Eukaryota UNPD*
NPO26793 Trichia carnea Species Trichiidae Eukaryota UNPD*
NPO6250 Laurencia tristicha Species Rhodomelaceae Eukaryota UNPD*
NPO19333 Byssothecium obiones Species Massarinaceae Eukaryota UNPD*
NPO17226 Burkholderia pyrrocinia Species Burkholderiaceae Bacteria UNPD*
NPO18463 Plectocephalus chilensis Species Asteraceae Eukaryota UNPD*
NPO26173 Anomospermum grandifolium Species Menispermaceae Eukaryota UNPD*
NPO25808 Fritillaria taipaiensis Species Liliaceae Eukaryota UNPD*
NPO3124 Gloiopeltis furcata Species Endocladiaceae Eukaryota UNPD*
NPO23463 Basanacantha spinosa NA NA NA UNPD*
NPO29331 Pyrrosia sheareri Species Polypodiaceae Eukaryota UNPD*
NPO26020 Dahlstedtia pinnata Species Fabaceae Eukaryota UNPD*
NPO5082 Cycas revoluta Species Cycadaceae Eukaryota UNPD*
NPO2609 Neonectria candida Species Nectriaceae Eukaryota UNPD*
NPO27038 Senecio macrophyllus Species Asteraceae Eukaryota UNPD*
NPO2968 Anthopleura xanthogrammica Species Actiniidae Eukaryota UNPD*
NPO29139 Agave huachucensis Species Asparagaceae Eukaryota UNPD*
NPO26489 Arthrobacter viscosus Species Rhizobiaceae Bacteria UNPD*
NPO26300 Penianthus zenkeri Species Menispermaceae Eukaryota UNPD*
NPO26550 Ruscus aculeatus Species Asparagaceae Eukaryota UNPD*
NPO6850 Typha domingensis Species Typhaceae Eukaryota UNPD*
NPO25775 Dasystenella acanthina Species Primnoidae Eukaryota UNPD*
NPO6302 Licaria armeniaca Species Lauraceae Eukaryota UNPD*
NPO25025 Gypothamnium pinifolium Species Asteraceae Eukaryota UNPD*
NPO26427 Heterocapsa triquetra Species Heterocapsaceae Eukaryota UNPD*
NPO20000 Adina rubescens Species Rubiaceae Eukaryota UNPD*
NPO26467 Nipaecoccus aurilanatus Species Pseudococcidae Eukaryota UNPD*
NPO24757 Meryta denhamii Species Araliaceae Eukaryota UNPD*
NPO26862 Pentaceraster alveolatus Species Oreasteridae Eukaryota UNPD*
NPO25265 Sophora secundiflora Species Fabaceae Eukaryota UNPD*
NPO4816 Cycas armstrongii Species Cycadaceae Eukaryota UNPD*
NPO28899 Eupatorium hyssopifolium Species Asteraceae Eukaryota UNPD*
NPO24375 Micrococcus luteus Species Micrococcaceae Bacteria UNPD*
NPO3756 Munronia delavayi Species Meliaceae Eukaryota UNPD*
NPO29467 Virola elongata Species Myristicaceae Eukaryota UNPD*
NPO23068 Guettarda eximia Species Rubiaceae Eukaryota UNPD*
NPO27000 Geranium macrorrhizum Species Geraniaceae Eukaryota UNPD*
NPO4323 Morinda citrifolia Species Rubiaceae Eukaryota UNPD*
NPO26361 Annona cherimolia Species Annonaceae Eukaryota UNPD*
NPO10870 Trichilia hirta Species Meliaceae Eukaryota UNPD*
NPO3451 Saxidomus giganteus Species Veneridae Eukaryota UNPD*
NPO26843 Heliconius cydno Species Nymphalidae Eukaryota UNPD*
NPO25592 Pedicularis densispica Species Orobanchaceae Eukaryota UNPD*
NPO27663 Onoseris lopezii Species Asteraceae Eukaryota UNPD*
NPO29259 Streptomyces toyocaensis Species Streptomycetaceae Bacteria UNPD*
NPO24509 Randia longispina Species Rubiaceae Eukaryota UNPD*
NPO26577 Clinostemon mahuba NA NA NA UNPD*
NPO29345 Maytenus horrida Species Celastraceae Eukaryota UNPD*
NPO29204 Picea breweriana Species Pinaceae Eukaryota UNPD*
NPO23570 Hypolaena fastigiata Species Restionaceae Eukaryota UNPD*
NPO26956 Crambe crambe Species Esperiopsidae Eukaryota UNPD*
NPO291 Suillus bovinus Species Suillaceae Eukaryota UNPD*
NPO26106 Lactarius pubescens Species Russulaceae Eukaryota UNPD*
NPO4011 Chlamydomonas reinhardtii Species Chlamydomonadaceae Eukaryota UNPD*
NPO25210 Fulmarus glacialis Species Procellariidae Eukaryota UNPD*
NPO115 Eutreptia viridis Species NA Eukaryota UNPD*
NPO27027 Renilla muelleri Species Renillidae Eukaryota UNPD*
NPO4293 Allium neapolitanum Species Amaryllidaceae Eukaryota UNPD*
NPO12552 Aloe indica Species Asphodelaceae Eukaryota UNPD*
NPO28717 Miconia myriantha Species Melastomataceae Eukaryota UNPD*
NPO25843 Solanum chacoense Species Solanaceae Eukaryota UNPD*
NPO26222 Gonepteryx rhamni Species Pieridae Eukaryota UNPD*
NPO7622 Monanchora pulchra Species Crambeidae Eukaryota UNPD*
NPO6130 Mammillaria magnimamma Species Cactaceae Eukaryota UNPD*
NPO24594 Polypodium hastatum Species Polypodiidae Eukaryota UNPD*
NPO9613 Anisomeles indica Species Lamiaceae Eukaryota UNPD*
NPO1897 Ephedra aphylla Species Ephedraceae Eukaryota UNPD*
NPO29049 Sinoadina racemosa Species Rubiaceae Eukaryota UNPD*
NPO28806 Populus grandidentata Species Salicaceae Eukaryota UNPD*
NPO25438 Xiphophora gladiata Species Fucaceae Eukaryota UNPD*
NPO28884 Cladonia cryptochlorophaea Species Cladoniaceae Eukaryota UNPD*
NPO24883 Angiopteris caudatiformis Species Marattiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT83 Cell Line MCF7 Homo sapiens GI50 > 100000 nM 11678649
NPT384 Cell Line TK-10 Homo sapiens GI50 > 100000 nM 11678649
NPT398 Cell Line UACC-62 Homo sapiens GI50 > 100000 nM 11678649
NPT397 Cell Line NCI-H460 Homo sapiens GI50 > 100000 nM 11678649
NPT395 Cell Line SF-268 Homo sapiens GI50 > 100000 nM 11678649

  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 NPC267753 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
0.9855 High Similarity NPC130011
0.971 High Similarity NPC68426
0.971 High Similarity NPC477229
0.971 High Similarity NPC282905
0.9571 High Similarity NPC159325
0.9571 High Similarity NPC168511
0.9315 High Similarity NPC26029
0.9306 High Similarity NPC108840
0.913 High Similarity NPC260319
0.913 High Similarity NPC103647
0.913 High Similarity NPC180777
0.913 High Similarity NPC2568
0.8904 High Similarity NPC97534
0.8904 High Similarity NPC174964
0.8904 High Similarity NPC195155
0.8889 High Similarity NPC81759
0.8846 High Similarity NPC105895
0.88 High Similarity NPC472608
0.8784 High Similarity NPC475742
0.8784 High Similarity NPC5767
0.8767 High Similarity NPC254340
0.875 High Similarity NPC247195
0.875 High Similarity NPC290058
0.8701 High Similarity NPC50658
0.8667 High Similarity NPC23884
0.8667 High Similarity NPC221420
0.863 High Similarity NPC232112
0.8592 High Similarity NPC475977
0.8553 High Similarity NPC243594
0.8553 High Similarity NPC31031
0.8493 Intermediate Similarity NPC320549
0.8493 Intermediate Similarity NPC89310
0.8493 Intermediate Similarity NPC58057
0.8493 Intermediate Similarity NPC151018
0.8493 Intermediate Similarity NPC156277
0.8472 Intermediate Similarity NPC327728
0.8472 Intermediate Similarity NPC6120
0.8472 Intermediate Similarity NPC213178
0.8472 Intermediate Similarity NPC131892
0.8462 Intermediate Similarity NPC48756
0.8462 Intermediate Similarity NPC476071
0.8462 Intermediate Similarity NPC280781
0.8462 Intermediate Similarity NPC328264
0.8451 Intermediate Similarity NPC472984
0.8421 Intermediate Similarity NPC298168
0.8421 Intermediate Similarity NPC143133
0.8406 Intermediate Similarity NPC292419
0.8406 Intermediate Similarity NPC290791
0.84 Intermediate Similarity NPC273366
0.8375 Intermediate Similarity NPC474996
0.8375 Intermediate Similarity NPC25037
0.8375 Intermediate Similarity NPC34984
0.8333 Intermediate Similarity NPC469724
0.8333 Intermediate Similarity NPC100917
0.8333 Intermediate Similarity NPC31187
0.8333 Intermediate Similarity NPC281203
0.8289 Intermediate Similarity NPC472486
0.8289 Intermediate Similarity NPC472487
0.8272 Intermediate Similarity NPC62572
0.8194 Intermediate Similarity NPC204233
0.8193 Intermediate Similarity NPC230387
0.8182 Intermediate Similarity NPC475031
0.8182 Intermediate Similarity NPC472746
0.8158 Intermediate Similarity NPC159789
0.8158 Intermediate Similarity NPC125767
0.8158 Intermediate Similarity NPC21220
0.8158 Intermediate Similarity NPC212733
0.8148 Intermediate Similarity NPC474233
0.8125 Intermediate Similarity NPC61107
0.8125 Intermediate Similarity NPC289486
0.8125 Intermediate Similarity NPC30583
0.8082 Intermediate Similarity NPC469987
0.8082 Intermediate Similarity NPC474954
0.8082 Intermediate Similarity NPC475893
0.8052 Intermediate Similarity NPC4209
0.8049 Intermediate Similarity NPC133954
0.8026 Intermediate Similarity NPC133922
0.8026 Intermediate Similarity NPC167702
0.8026 Intermediate Similarity NPC280026
0.8025 Intermediate Similarity NPC472743
0.8025 Intermediate Similarity NPC269684
0.8025 Intermediate Similarity NPC475726
0.8025 Intermediate Similarity NPC327451
0.8023 Intermediate Similarity NPC472147
0.8023 Intermediate Similarity NPC472148
0.8 Intermediate Similarity NPC474870
0.8 Intermediate Similarity NPC271572
0.7975 Intermediate Similarity NPC320144
0.7973 Intermediate Similarity NPC321732
0.7973 Intermediate Similarity NPC324607
0.7952 Intermediate Similarity NPC74363
0.7952 Intermediate Similarity NPC187545
0.7952 Intermediate Similarity NPC475862
0.7952 Intermediate Similarity NPC213412
0.7949 Intermediate Similarity NPC207010
0.7949 Intermediate Similarity NPC112463
0.7949 Intermediate Similarity NPC317913
0.7927 Intermediate Similarity NPC237938
0.7927 Intermediate Similarity NPC219535
0.7927 Intermediate Similarity NPC474482
0.7927 Intermediate Similarity NPC475745
0.7917 Intermediate Similarity NPC80463
0.7917 Intermediate Similarity NPC260116
0.7907 Intermediate Similarity NPC474525
0.7901 Intermediate Similarity NPC328007
0.7901 Intermediate Similarity NPC268040
0.7895 Intermediate Similarity NPC310766
0.7882 Intermediate Similarity NPC122116
0.7875 Intermediate Similarity NPC261616
0.7857 Intermediate Similarity NPC73064
0.7848 Intermediate Similarity NPC185465
0.7848 Intermediate Similarity NPC224802
0.7848 Intermediate Similarity NPC34046
0.7848 Intermediate Similarity NPC324700
0.7848 Intermediate Similarity NPC171426
0.7848 Intermediate Similarity NPC80089
0.7838 Intermediate Similarity NPC473225
0.7831 Intermediate Similarity NPC292553
0.7808 Intermediate Similarity NPC142712
0.7791 Intermediate Similarity NPC46441
0.7778 Intermediate Similarity NPC469745
0.775 Intermediate Similarity NPC80891
0.775 Intermediate Similarity NPC73013
0.775 Intermediate Similarity NPC201276
0.7738 Intermediate Similarity NPC83242
0.7738 Intermediate Similarity NPC120395
0.7738 Intermediate Similarity NPC476726
0.7738 Intermediate Similarity NPC477579
0.7738 Intermediate Similarity NPC475276
0.7738 Intermediate Similarity NPC235341
0.7738 Intermediate Similarity NPC95594
0.7738 Intermediate Similarity NPC471737
0.7738 Intermediate Similarity NPC248216
0.7738 Intermediate Similarity NPC476727
0.7738 Intermediate Similarity NPC72638
0.7738 Intermediate Similarity NPC472738
0.7711 Intermediate Similarity NPC180834
0.7711 Intermediate Similarity NPC171789
0.7711 Intermediate Similarity NPC264665
0.7711 Intermediate Similarity NPC473299
0.7711 Intermediate Similarity NPC74595
0.7703 Intermediate Similarity NPC48079
0.7703 Intermediate Similarity NPC41542
0.7683 Intermediate Similarity NPC48362
0.7674 Intermediate Similarity NPC69627
0.7671 Intermediate Similarity NPC19311
0.7671 Intermediate Similarity NPC230047
0.7662 Intermediate Similarity NPC253805
0.7662 Intermediate Similarity NPC475230
0.7662 Intermediate Similarity NPC211009
0.7654 Intermediate Similarity NPC470609
0.7647 Intermediate Similarity NPC470920
0.7647 Intermediate Similarity NPC98442
0.7647 Intermediate Similarity NPC57469
0.7647 Intermediate Similarity NPC307426
0.7647 Intermediate Similarity NPC293564
0.7647 Intermediate Similarity NPC102683
0.7647 Intermediate Similarity NPC142415
0.7647 Intermediate Similarity NPC51700
0.7647 Intermediate Similarity NPC68160
0.7647 Intermediate Similarity NPC4643
0.7647 Intermediate Similarity NPC18064
0.7647 Intermediate Similarity NPC242468
0.7647 Intermediate Similarity NPC171203
0.7647 Intermediate Similarity NPC88716
0.7647 Intermediate Similarity NPC130577
0.7632 Intermediate Similarity NPC108131
0.7632 Intermediate Similarity NPC476731
0.7619 Intermediate Similarity NPC294438
0.7619 Intermediate Similarity NPC264317
0.7619 Intermediate Similarity NPC131350
0.76 Intermediate Similarity NPC472741
0.7586 Intermediate Similarity NPC50443
0.7586 Intermediate Similarity NPC472146
0.7586 Intermediate Similarity NPC291028
0.7586 Intermediate Similarity NPC18536
0.7586 Intermediate Similarity NPC185529
0.7564 Intermediate Similarity NPC472854
0.7564 Intermediate Similarity NPC162164
0.7561 Intermediate Similarity NPC58631
0.7561 Intermediate Similarity NPC12933
0.7561 Intermediate Similarity NPC3915
0.7558 Intermediate Similarity NPC470629
0.7558 Intermediate Similarity NPC473242
0.7558 Intermediate Similarity NPC52169
0.7558 Intermediate Similarity NPC236459
0.7558 Intermediate Similarity NPC290690
0.7558 Intermediate Similarity NPC182797
0.7558 Intermediate Similarity NPC40552
0.7558 Intermediate Similarity NPC181225
0.7558 Intermediate Similarity NPC474512
0.7558 Intermediate Similarity NPC131104
0.7558 Intermediate Similarity NPC472739
0.7558 Intermediate Similarity NPC473319
0.7558 Intermediate Similarity NPC474719
0.7558 Intermediate Similarity NPC17733
0.7558 Intermediate Similarity NPC3032
0.7558 Intermediate Similarity NPC246708
0.7556 Intermediate Similarity NPC157113
0.7556 Intermediate Similarity NPC62516

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC267753 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
0.8493 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.8493 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.8472 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.8472 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.8356 Intermediate Similarity NPD4789 Approved
0.8158 Intermediate Similarity NPD3703 Phase 2
0.8108 Intermediate Similarity NPD4244 Approved
0.8108 Intermediate Similarity NPD4245 Approved
0.8052 Intermediate Similarity NPD6117 Approved
0.8026 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7973 Intermediate Similarity NPD3698 Phase 2
0.7949 Intermediate Similarity NPD6116 Phase 1
0.7848 Intermediate Similarity NPD6697 Approved
0.7848 Intermediate Similarity NPD6118 Approved
0.7848 Intermediate Similarity NPD6115 Approved
0.7848 Intermediate Similarity NPD6114 Approved
0.7838 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.7838 Intermediate Similarity NPD5360 Phase 3
0.7671 Intermediate Similarity NPD3171 Clinical (unspecified phase)
0.7625 Intermediate Similarity NPD3671 Phase 1
0.7619 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7515 Phase 2
0.7333 Intermediate Similarity NPD4224 Phase 2
0.7308 Intermediate Similarity NPD4758 Discontinued
0.7143 Intermediate Similarity NPD7748 Approved
0.7089 Intermediate Similarity NPD5777 Approved
0.7089 Intermediate Similarity NPD6081 Approved
0.7051 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.6988 Remote Similarity NPD5364 Discontinued
0.6932 Remote Similarity NPD3618 Phase 1
0.6923 Remote Similarity NPD8035 Phase 2
0.6923 Remote Similarity NPD8034 Phase 2
0.6915 Remote Similarity NPD7902 Approved
0.6905 Remote Similarity NPD7645 Phase 2
0.6897 Remote Similarity NPD4786 Approved
0.6889 Remote Similarity NPD5328 Approved
0.686 Remote Similarity NPD3667 Approved
0.6782 Remote Similarity NPD4788 Approved
0.675 Remote Similarity NPD4787 Phase 1
0.6739 Remote Similarity NPD6079 Approved
0.6632 Remote Similarity NPD5222 Approved
0.6632 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6632 Remote Similarity NPD4697 Phase 3
0.6632 Remote Similarity NPD5221 Approved
0.6627 Remote Similarity NPD3702 Approved
0.6596 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6596 Remote Similarity NPD7900 Approved
0.6588 Remote Similarity NPD3617 Approved
0.6562 Remote Similarity NPD4755 Approved
0.6562 Remote Similarity NPD5173 Approved
0.6522 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6517 Remote Similarity NPD3133 Approved
0.6517 Remote Similarity NPD3665 Phase 1
0.6517 Remote Similarity NPD3666 Approved
0.6489 Remote Similarity NPD4202 Approved
0.6429 Remote Similarity NPD5286 Approved
0.6429 Remote Similarity NPD5285 Approved
0.6429 Remote Similarity NPD4700 Approved
0.6429 Remote Similarity NPD4696 Approved
0.6374 Remote Similarity NPD5279 Phase 3
0.6364 Remote Similarity NPD5223 Approved
0.6344 Remote Similarity NPD4753 Phase 2
0.6337 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6301 Remote Similarity NPD3729 Clinical (unspecified phase)
0.63 Remote Similarity NPD5225 Approved
0.63 Remote Similarity NPD5226 Approved
0.63 Remote Similarity NPD5224 Approved
0.63 Remote Similarity NPD4633 Approved
0.63 Remote Similarity NPD5211 Phase 2
0.6275 Remote Similarity NPD6402 Approved
0.6275 Remote Similarity NPD5739 Approved
0.6275 Remote Similarity NPD7128 Approved
0.6275 Remote Similarity NPD6675 Approved
0.6264 Remote Similarity NPD5329 Approved
0.6263 Remote Similarity NPD8418 Phase 2
0.625 Remote Similarity NPD4695 Discontinued
0.625 Remote Similarity NPD7525 Registered
0.625 Remote Similarity NPD6928 Phase 2
0.6238 Remote Similarity NPD5175 Approved
0.6238 Remote Similarity NPD4754 Approved
0.6238 Remote Similarity NPD5174 Approved
0.6232 Remote Similarity NPD385 Approved
0.6232 Remote Similarity NPD384 Approved
0.6176 Remote Similarity NPD5141 Approved
0.6154 Remote Similarity NPD6881 Approved
0.6154 Remote Similarity NPD3668 Phase 3
0.6154 Remote Similarity NPD7320 Approved
0.6154 Remote Similarity NPD6899 Approved
0.6154 Remote Similarity NPD4197 Approved
0.6154 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6147 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6146 Remote Similarity NPD6399 Phase 3
0.6117 Remote Similarity NPD4768 Approved
0.6117 Remote Similarity NPD4767 Approved
0.6117 Remote Similarity NPD6920 Discontinued
0.6104 Remote Similarity NPD3198 Approved
0.6095 Remote Similarity NPD6373 Approved
0.6095 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6095 Remote Similarity NPD6372 Approved
0.6081 Remote Similarity NPD615 Clinical (unspecified phase)
0.6064 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6061 Remote Similarity NPD6084 Phase 2
0.6061 Remote Similarity NPD6083 Phase 2
0.6058 Remote Similarity NPD5697 Approved
0.6058 Remote Similarity NPD5701 Approved
0.6038 Remote Similarity NPD7102 Approved
0.6038 Remote Similarity NPD6883 Approved
0.6038 Remote Similarity NPD7290 Approved
0.6022 Remote Similarity NPD3574 Clinical (unspecified phase)
0.602 Remote Similarity NPD5210 Approved
0.602 Remote Similarity NPD4629 Approved
0.6 Remote Similarity NPD5128 Approved
0.6 Remote Similarity NPD7638 Approved
0.6 Remote Similarity NPD6011 Approved
0.6 Remote Similarity NPD4729 Approved
0.6 Remote Similarity NPD6415 Discontinued
0.6 Remote Similarity NPD4730 Approved
0.6 Remote Similarity NPD5168 Approved
0.5981 Remote Similarity NPD8130 Phase 1
0.5981 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5981 Remote Similarity NPD6650 Approved
0.5981 Remote Similarity NPD6617 Approved
0.5981 Remote Similarity NPD6847 Approved
0.5981 Remote Similarity NPD6649 Approved
0.5981 Remote Similarity NPD6869 Approved
0.5965 Remote Similarity NPD8328 Phase 3
0.5943 Remote Similarity NPD6012 Approved
0.5943 Remote Similarity NPD6013 Approved
0.5943 Remote Similarity NPD6014 Approved
0.5941 Remote Similarity NPD7639 Approved
0.5941 Remote Similarity NPD7640 Approved
0.5934 Remote Similarity NPD4221 Approved
0.5934 Remote Similarity NPD4223 Phase 3
0.5926 Remote Similarity NPD8297 Approved
0.5926 Remote Similarity NPD6882 Approved
0.5895 Remote Similarity NPD6672 Approved
0.5895 Remote Similarity NPD5737 Approved
0.5888 Remote Similarity NPD5248 Approved
0.5888 Remote Similarity NPD5250 Approved
0.5888 Remote Similarity NPD5249 Phase 3
0.5888 Remote Similarity NPD4634 Approved
0.5888 Remote Similarity NPD5134 Clinical (unspecified phase)
0.5888 Remote Similarity NPD5169 Approved
0.5888 Remote Similarity NPD5135 Approved
0.5888 Remote Similarity NPD5247 Approved
0.5888 Remote Similarity NPD5251 Approved
0.5862 Remote Similarity NPD6942 Approved
0.5862 Remote Similarity NPD7339 Approved
0.5851 Remote Similarity NPD5330 Approved
0.5851 Remote Similarity NPD4694 Approved
0.5851 Remote Similarity NPD7521 Approved
0.5851 Remote Similarity NPD6409 Approved
0.5851 Remote Similarity NPD6684 Approved
0.5851 Remote Similarity NPD7334 Approved
0.5851 Remote Similarity NPD5690 Phase 2
0.5851 Remote Similarity NPD7146 Approved
0.5851 Remote Similarity NPD5280 Approved
0.5833 Remote Similarity NPD5217 Approved
0.5833 Remote Similarity NPD5216 Approved
0.5833 Remote Similarity NPD5215 Approved
0.5833 Remote Similarity NPD5127 Approved
0.5825 Remote Similarity NPD7632 Discontinued
0.5824 Remote Similarity NPD4139 Approved
0.5824 Remote Similarity NPD4692 Approved
0.5802 Remote Similarity NPD7909 Approved
0.58 Remote Similarity NPD7614 Phase 1
0.5795 Remote Similarity NPD3701 Clinical (unspecified phase)
0.5789 Remote Similarity NPD3573 Approved
0.5766 Remote Similarity NPD6868 Approved
0.5729 Remote Similarity NPD6903 Approved
0.5727 Remote Similarity NPD4632 Approved
0.5727 Remote Similarity NPD8133 Approved
0.5714 Remote Similarity NPD6705 Phase 1
0.5714 Remote Similarity NPD8259 Clinical (unspecified phase)
0.57 Remote Similarity NPD5695 Phase 3
0.5686 Remote Similarity NPD5696 Approved
0.5684 Remote Similarity NPD4688 Approved
0.5684 Remote Similarity NPD4693 Phase 3
0.5684 Remote Similarity NPD4623 Approved
0.5684 Remote Similarity NPD6098 Approved
0.5684 Remote Similarity NPD4690 Approved
0.5684 Remote Similarity NPD4519 Discontinued
0.5684 Remote Similarity NPD5205 Approved
0.5684 Remote Similarity NPD4689 Approved
0.5684 Remote Similarity NPD4138 Approved
0.5676 Remote Similarity NPD5167 Approved
0.5664 Remote Similarity NPD6335 Approved
0.5657 Remote Similarity NPD8171 Discontinued
0.5625 Remote Similarity NPD6274 Approved
0.5614 Remote Similarity NPD7100 Approved
0.5614 Remote Similarity NPD7101 Approved
0.5612 Remote Similarity NPD6701 Clinical (unspecified phase)
0.5612 Remote Similarity NPD6700 Approved
0.561 Remote Similarity NPD371 Approved
0.5607 Remote Similarity NPD6412 Phase 2

Structure

External Identifiers

PubChem CID   14465808
ChEMBL   CHEMBL516845
ZINC  

Physicochemical Properties

Molecular Weight:  442.38
ALogP:  2.1831
MLogP:  4.54
XLogP:  12.071
# Rotatable Bonds:  9
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  32

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Biological Activities  
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