Natural Product: NPC241911

Natural Product ID:  NPC241911
Common Name:   Geniposidic Acid
IUPAC Name:   (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
Synonyms:   Geniposidic Acid
Molecular Formula:   C16H22O10
Standard InCHIKey:  ZJDOESGVOWAULF-OGJQONSISA-N
Standard InCHI:  InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2C(=CC3)CO)C(=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
NPO9518 Gardenia jasminoides Species Rubiaceae Eukaryota Seoul, Korea 2000-JUN PMID[16643034]
NPO3681 Eucalyptus incrassata Species Myrtaceae Eukaryota UNPD*
NPO26435 Cistanches herba NA NA NA TCMSP*
NPO11946 Cleistanthus gracilis Species Phyllanthaceae Eukaryota UNPD*
NPO17872 Hedyotis diffusae herba Species Rubiaceae Eukaryota TCMSP*
NPO7089 Fusidium griseum Species Nectriaceae Eukaryota UNPD*
NPO29619 Plantaginis semen NA NA NA TCMSP*
NPO12447 Plagiochila yokogurensis Species Plagiochilaceae Eukaryota UNPD*
NPO29685 Eucommiae folium NA NA NA TCMSP*
NPO8687 Chaerophyllum temulum Species Apiaceae Eukaryota UNPD*
NPO4313 Corynebacterium poinsettiae Species Corynebacteriaceae Bacteria UNPD*
NPO29635 Eucommiae cortex NA NA NA TCMSP*
NPO28860 Saprosma scortechinii Species Rubiaceae Eukaryota UNPD*
NPO29186 Nardosmia laevigata NA NA NA UNPD*
NPO10680 Cistanche deserticola Species Orobanchaceae Eukaryota TM-MC*
NPO29527 Stemonoporus affinis Species Dipterocarpaceae Eukaryota UNPD*
NPO17605 Adenaria floribunda Species Lythraceae Eukaryota UNPD*
NPO6964 Cistanche tubulosa Species Orobanchaceae Eukaryota TM-MC*
NPO5598 Caesalpinia brevifolia Species Fabaceae Eukaryota UNPD*
NPO172 Artemisia diffusa Species Asteraceae Eukaryota UNPD*
NPO16850 Eucommia ulmoides Species Eucommiaceae Eukaryota TM-MC*
NPO28580 Tetragonia tetragonioides Species Aizoaceae Eukaryota UNPD*
NPO2580 Globularia vulgaris Species Plantaginaceae Eukaryota UNPD*
NPO9518 Gardenia jasminoides Species Rubiaceae Eukaryota TM-MC*
NPO29122 Scyphiphora hydrophyllacea Species Rubiaceae Eukaryota UNPD*
NPO29077 Marsupella emarginata Species Gymnomitriaceae Eukaryota UNPD*
NPO3477 Plantago asiatica Species Plantaginaceae Eukaryota TM-MC*
NPO15905 Montipora digitata Species Acroporidae Eukaryota UNPD*
NPO4005 Andrachne rotundifolia Species Phyllanthaceae Eukaryota UNPD*
NPO8918 Plantago depressa Species Plantaginaceae Eukaryota TM-MC*
NPO3599 Rheum maximowiczii Species Polygonaceae Eukaryota UNPD*
NPO4617 Tanacetum cinerariifolium Species Asteraceae Eukaryota UNPD*
NPO16850 Eucommia ulmoides Species Eucommiaceae Eukaryota TCMID*
NPO793 Pestalotiopsis microspora Species Sporocadaceae Eukaryota UNPD*
NPO9518 Gardenia jasminoides Species Rubiaceae Eukaryota TCMID*
NPO20005 Penstemon barbatus Species Plantaginaceae Eukaryota PMID[26351040]
NPO21689 Titanotrichum oldhamii Species Gesneriaceae Eukaryota UNPD*
NPO10680 Cistanche deserticola Species Orobanchaceae Eukaryota TCMID*
NPO33113 castilleja tenuiflora Species Orobanchaceae Eukaryota PMID[26351040]
NPO10871 Arisaema triphyllum Species Araceae Eukaryota UNPD*
NPO1835 Oldenlandia corymbosa Species Rubiaceae Eukaryota TCMID*
NPO33328 cresentia alata Species NA NA PMID[26351040]
NPO3326 Zhumeria majdae Species Lamiaceae Eukaryota UNPD*
NPO7510 Ixora chinensis Species Rubiaceae Eukaryota TCMID*
NPO33356 vitex mollis Species Lamiaceae Eukaryota PMID[26351040]
NPO7577 Nephrotoma cornicina Species Tipulidae Eukaryota UNPD*
NPO12531 Gmelina philippensis Species Lamiaceae Eukaryota TCMID*
NPO29197 Mimosa hostilis Species Fabaceae Eukaryota UNPD*
NPO13951 Phialophora alba Species Herpotrichiellaceae Eukaryota UNPD*
NPO19649 Akebia quinata Species Lardizabalaceae Eukaryota TCMID*
NPO6853 Ostracion cubicus Species Ostraciidae Eukaryota UNPD*
NPO28914 Caragana sinica Species Fabaceae Eukaryota UNPD*
NPO17824 Genipa americana Species Rubiaceae Eukaryota TCMID*
NPO29342 Astraeus hygrometricus Species Astraeaceae Eukaryota UNPD*
NPO29291 Diplopappus fruticosus NA NA NA UNPD*
NPO29328 Genista tinctoria Species Fabaceae Eukaryota UNPD*
NPO10109 Haemanthus natalensis Species Amaryllidaceae Eukaryota UNPD*
NPO14207 Euphorbia neriifolia Species Euphorbiaceae Eukaryota UNPD*
NPO14928 Huperzia serrata Species Lycopodiaceae Eukaryota UNPD*
NPO24674 Trichoderma album Species Hypocreaceae Eukaryota UNPD*
NPO16850 Eucommia ulmoides Species Eucommiaceae Eukaryota TCM_Taiwan*
NPO30023 Hedyotis corymbosa Species Rubiaceae Eukaryota TCM_Taiwan*
NPO9518 Gardenia jasminoides Species Rubiaceae Eukaryota TCM_Taiwan*
NPO26510 Gentianopsis ciliata Species Gentianaceae Eukaryota UNPD*
NPO5495 Broussonetia papyrifera Species Moraceae Eukaryota UNPD*
NPO29448 Centaurea thessala Species Asteraceae Eukaryota UNPD*
NPO15078 Suckleya suckleyana Species Chenopodiaceae Eukaryota UNPD*
NPO20033 Arcopilus cupreus Species Chaetomiaceae Eukaryota UNPD*
NPO15291 Artemisia persica Species Asteraceae Eukaryota UNPD*
NPO10511 Lycopodium confertum Species Lycopodiaceae Eukaryota UNPD*
NPO14065 Artemisia koidzumii Species Asteraceae Eukaryota UNPD*
NPO22440 Arctanthemum arcticum Species Asteraceae Eukaryota UNPD*
NPO214 Platycodon grandiflorus Species Campanulaceae Eukaryota UNPD*
NPO892 Glochidion ferdinandii Species Phyllanthaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition = 34.8 % 1667413
NPT2 Others Unspecified Inhibition = 80.5 % 1667413
NPT2 Others Unspecified Inhibition = 91.8 % 1667413
NPT2 Others Unspecified Inhibition = 100 % 1667413
NPT80 Cell Line Raji Homo sapiens Activity = 80 % 1667413
NPT2 Others Unspecified Inhibition = 14.3 % 12542353
NPT2 Others Unspecified Inhibition = 87.3 % 12542353
NPT1 Others Radical scavenging activity IC50 > 50 ug/ml 16643034
NPT2 Others Unspecified IC50 > 50 ug/ml 16643034
NPT2 Others Unspecified Inhibition = 4.8 % 16643034
NPT23 Individual Protein Integrase Human immunodeficiency virus 1 IC50 > 100 ug/ml 16643034
NPT32 Organism Mus musculus Mus musculus Activity = 25.4 ug 21324693
NPT32 Organism Mus musculus Mus musculus Activity = 33.9 ug 21324693
NPT32 Organism Mus musculus Mus musculus Activity = 8.53 ug 21324693
NPT32 Organism Mus musculus Mus musculus Activity = 4.93 ug 21324693
NPT3041 Organism Human enterovirus 71 Human enterovirus 71 Survival >= 80 % 23353754
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens Inhibition = 55.7 % 26351040
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens Inhibition = 54.1 % 26351040
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens Inhibition = 55.3 % 26351040
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens Inhibition <= 30 % 26351040
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens Inhibition = 33.2 % 26351040
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens Inhibition = 33.4 % 26351040

  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 NPC241911 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
0.9674 High Similarity NPC306344
0.9674 High Similarity NPC22149
0.9674 High Similarity NPC255677
0.957 High Similarity NPC28304
0.957 High Similarity NPC298255
0.9468 High Similarity NPC250545
0.9368 High Similarity NPC118761
0.9368 High Similarity NPC267869
0.9368 High Similarity NPC234304
0.9368 High Similarity NPC284929
0.9368 High Similarity NPC197541
0.9271 High Similarity NPC86095
0.9263 High Similarity NPC261117
0.9263 High Similarity NPC222062
0.9263 High Similarity NPC310804
0.9062 High Similarity NPC195510
0.9062 High Similarity NPC13171
0.8817 High Similarity NPC61201
0.8602 High Similarity NPC6414
0.8602 High Similarity NPC303451
0.8556 High Similarity NPC220167
0.8556 High Similarity NPC136699
0.8542 High Similarity NPC161293
0.8515 High Similarity NPC254538
0.8515 High Similarity NPC474285
0.8438 Intermediate Similarity NPC170204
0.8404 Intermediate Similarity NPC117596
0.8404 Intermediate Similarity NPC307699
0.8316 Intermediate Similarity NPC472126
0.8316 Intermediate Similarity NPC472124
0.8316 Intermediate Similarity NPC472125
0.828 Intermediate Similarity NPC142583
0.8247 Intermediate Similarity NPC469543
0.8247 Intermediate Similarity NPC101051
0.8211 Intermediate Similarity NPC231710
0.8211 Intermediate Similarity NPC65665
0.8211 Intermediate Similarity NPC470573
0.8211 Intermediate Similarity NPC270908
0.8211 Intermediate Similarity NPC216826
0.8211 Intermediate Similarity NPC120021
0.82 Intermediate Similarity NPC20673
0.82 Intermediate Similarity NPC3488
0.82 Intermediate Similarity NPC287539
0.8119 Intermediate Similarity NPC471599
0.81 Intermediate Similarity NPC244878
0.8058 Intermediate Similarity NPC127235
0.8043 Intermediate Similarity NPC188717
0.8043 Intermediate Similarity NPC211455
0.8041 Intermediate Similarity NPC280390
0.8039 Intermediate Similarity NPC475928
0.802 Intermediate Similarity NPC219038
0.8 Intermediate Similarity NPC137368
0.8 Intermediate Similarity NPC151093
0.798 Intermediate Similarity NPC306041
0.7959 Intermediate Similarity NPC63897
0.7941 Intermediate Similarity NPC35185
0.7941 Intermediate Similarity NPC4899
0.7941 Intermediate Similarity NPC106668
0.7941 Intermediate Similarity NPC474730
0.7941 Intermediate Similarity NPC177013
0.7938 Intermediate Similarity NPC472197
0.7921 Intermediate Similarity NPC473146
0.7885 Intermediate Similarity NPC170432
0.7864 Intermediate Similarity NPC27687
0.7864 Intermediate Similarity NPC37240
0.7843 Intermediate Similarity NPC98859
0.7843 Intermediate Similarity NPC4637
0.7822 Intermediate Similarity NPC472015
0.781 Intermediate Similarity NPC148270
0.781 Intermediate Similarity NPC80338
0.781 Intermediate Similarity NPC197813
0.7767 Intermediate Similarity NPC304163
0.7755 Intermediate Similarity NPC472199
0.7755 Intermediate Similarity NPC9447
0.7736 Intermediate Similarity NPC110701
0.7723 Intermediate Similarity NPC472290
0.7684 Intermediate Similarity NPC470124
0.7677 Intermediate Similarity NPC472195
0.7677 Intermediate Similarity NPC238090
0.7677 Intermediate Similarity NPC472196
0.7677 Intermediate Similarity NPC320552
0.7653 Intermediate Similarity NPC327253
0.7647 Intermediate Similarity NPC473307
0.7624 Intermediate Similarity NPC54731
0.7624 Intermediate Similarity NPC256230
0.76 Intermediate Similarity NPC159698
0.76 Intermediate Similarity NPC472198
0.7593 Intermediate Similarity NPC193741
0.7579 Intermediate Similarity NPC475035
0.7579 Intermediate Similarity NPC266718
0.7576 Intermediate Similarity NPC294643
0.7576 Intermediate Similarity NPC477749
0.7576 Intermediate Similarity NPC274274
0.7576 Intermediate Similarity NPC473150
0.7551 Intermediate Similarity NPC93190
0.7551 Intermediate Similarity NPC50464
0.7549 Intermediate Similarity NPC476612
0.7549 Intermediate Similarity NPC476613
0.7549 Intermediate Similarity NPC474194
0.7549 Intermediate Similarity NPC153559
0.7526 Intermediate Similarity NPC475037
0.7525 Intermediate Similarity NPC241407
0.7525 Intermediate Similarity NPC291709
0.75 Intermediate Similarity NPC477747
0.75 Intermediate Similarity NPC470658
0.75 Intermediate Similarity NPC476611
0.75 Intermediate Similarity NPC477746
0.7477 Intermediate Similarity NPC472274
0.7476 Intermediate Similarity NPC124181
0.7476 Intermediate Similarity NPC37866
0.7455 Intermediate Similarity NPC475851
0.7455 Intermediate Similarity NPC475924
0.7429 Intermediate Similarity NPC201191
0.7429 Intermediate Similarity NPC80144
0.7426 Intermediate Similarity NPC475927
0.7426 Intermediate Similarity NPC25701
0.7426 Intermediate Similarity NPC2003
0.7426 Intermediate Similarity NPC475832
0.7407 Intermediate Similarity NPC392
0.7407 Intermediate Similarity NPC177524
0.7407 Intermediate Similarity NPC219900
0.7391 Intermediate Similarity NPC202051
0.7391 Intermediate Similarity NPC473228
0.7391 Intermediate Similarity NPC470829
0.7374 Intermediate Similarity NPC477748
0.7374 Intermediate Similarity NPC249408
0.7374 Intermediate Similarity NPC104129
0.7339 Intermediate Similarity NPC118225
0.7327 Intermediate Similarity NPC320089
0.732 Intermediate Similarity NPC475034
0.7312 Intermediate Similarity NPC133377
0.7308 Intermediate Similarity NPC40182
0.7308 Intermediate Similarity NPC61630
0.7308 Intermediate Similarity NPC90819
0.7308 Intermediate Similarity NPC307517
0.7308 Intermediate Similarity NPC198422
0.7308 Intermediate Similarity NPC249171
0.7308 Intermediate Similarity NPC169468
0.7308 Intermediate Similarity NPC49833
0.7308 Intermediate Similarity NPC81483
0.73 Intermediate Similarity NPC202886
0.7282 Intermediate Similarity NPC474297
0.7281 Intermediate Similarity NPC475309
0.7281 Intermediate Similarity NPC13710
0.7273 Intermediate Similarity NPC472508
0.7273 Intermediate Similarity NPC471755
0.7273 Intermediate Similarity NPC471756
0.7263 Intermediate Similarity NPC280367
0.7255 Intermediate Similarity NPC71589
0.7255 Intermediate Similarity NPC256368
0.7255 Intermediate Similarity NPC294293
0.7255 Intermediate Similarity NPC315059
0.7248 Intermediate Similarity NPC472507
0.7248 Intermediate Similarity NPC475960
0.7245 Intermediate Similarity NPC278283
0.7228 Intermediate Similarity NPC473321
0.7228 Intermediate Similarity NPC235051
0.7222 Intermediate Similarity NPC41681
0.7216 Intermediate Similarity NPC212363
0.7204 Intermediate Similarity NPC110813
0.7203 Intermediate Similarity NPC318135
0.7196 Intermediate Similarity NPC197736
0.7184 Intermediate Similarity NPC6765
0.7184 Intermediate Similarity NPC93869
0.7184 Intermediate Similarity NPC36954
0.7172 Intermediate Similarity NPC118077
0.7172 Intermediate Similarity NPC74139
0.7172 Intermediate Similarity NPC475186
0.717 Intermediate Similarity NPC67296
0.717 Intermediate Similarity NPC198992
0.7158 Intermediate Similarity NPC127295
0.7158 Intermediate Similarity NPC163362
0.7157 Intermediate Similarity NPC475912
0.7143 Intermediate Similarity NPC242233
0.7143 Intermediate Similarity NPC174836
0.7143 Intermediate Similarity NPC21469
0.713 Intermediate Similarity NPC474917
0.7129 Intermediate Similarity NPC473619
0.7129 Intermediate Similarity NPC118078
0.7129 Intermediate Similarity NPC474232
0.7117 Intermediate Similarity NPC83005
0.7117 Intermediate Similarity NPC127153
0.7113 Intermediate Similarity NPC142111
0.7113 Intermediate Similarity NPC473315
0.7105 Intermediate Similarity NPC277583
0.7105 Intermediate Similarity NPC31797
0.7103 Intermediate Similarity NPC86077
0.7103 Intermediate Similarity NPC223834
0.71 Intermediate Similarity NPC473715
0.71 Intermediate Similarity NPC470137
0.71 Intermediate Similarity NPC473151
0.7097 Intermediate Similarity NPC326661
0.7091 Intermediate Similarity NPC295389
0.7091 Intermediate Similarity NPC473807
0.7087 Intermediate Similarity NPC274588
0.7083 Intermediate Similarity NPC152091
0.708 Intermediate Similarity NPC293658
0.708 Intermediate Similarity NPC474410
0.708 Intermediate Similarity NPC264153
0.7075 Intermediate Similarity NPC469402

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC241911 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
0.7407 Intermediate Similarity NPD6686 Approved
0.7129 Intermediate Similarity NPD46 Approved
0.7129 Intermediate Similarity NPD6698 Approved
0.6981 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6949 Remote Similarity NPD8513 Phase 3
0.6903 Remote Similarity NPD8413 Clinical (unspecified phase)
0.69 Remote Similarity NPD4249 Approved
0.6893 Remote Similarity NPD7983 Approved
0.6832 Remote Similarity NPD4251 Approved
0.6832 Remote Similarity NPD4250 Approved
0.6807 Remote Similarity NPD8516 Approved
0.6807 Remote Similarity NPD8515 Approved
0.6807 Remote Similarity NPD7503 Approved
0.6807 Remote Similarity NPD8517 Approved
0.6768 Remote Similarity NPD6110 Phase 1
0.6768 Remote Similarity NPD7154 Phase 3
0.6721 Remote Similarity NPD7507 Approved
0.6696 Remote Similarity NPD6412 Phase 2
0.656 Remote Similarity NPD7319 Approved
0.6552 Remote Similarity NPD6053 Discontinued
0.6549 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6522 Remote Similarity NPD6371 Approved
0.6481 Remote Similarity NPD7839 Suspended
0.6476 Remote Similarity NPD7838 Discovery
0.6465 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6436 Remote Similarity NPD5362 Discontinued
0.6423 Remote Similarity NPD7829 Approved
0.6423 Remote Similarity NPD7830 Approved
0.6417 Remote Similarity NPD7328 Approved
0.6417 Remote Similarity NPD7327 Approved
0.6417 Remote Similarity NPD7641 Discontinued
0.6415 Remote Similarity NPD7637 Suspended
0.6393 Remote Similarity NPD8033 Approved
0.6373 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6364 Remote Similarity NPD7516 Approved
0.6355 Remote Similarity NPD5778 Approved
0.6355 Remote Similarity NPD5779 Approved
0.6333 Remote Similarity NPD8137 Clinical (unspecified phase)
0.6311 Remote Similarity NPD8294 Approved
0.6311 Remote Similarity NPD8377 Approved
0.627 Remote Similarity NPD8074 Phase 3
0.6263 Remote Similarity NPD4271 Approved
0.6263 Remote Similarity NPD4268 Approved
0.626 Remote Similarity NPD8378 Approved
0.626 Remote Similarity NPD8335 Approved
0.626 Remote Similarity NPD8379 Approved
0.626 Remote Similarity NPD8296 Approved
0.626 Remote Similarity NPD8380 Approved
0.624 Remote Similarity NPD8299 Approved
0.624 Remote Similarity NPD8342 Approved
0.624 Remote Similarity NPD8341 Approved
0.624 Remote Similarity NPD8340 Approved
0.6218 Remote Similarity NPD8133 Approved
0.6216 Remote Similarity NPD4225 Approved
0.621 Remote Similarity NPD8080 Discontinued
0.616 Remote Similarity NPD7642 Approved
0.616 Remote Similarity NPD8328 Phase 3
0.6154 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6147 Remote Similarity NPD5282 Discontinued
0.614 Remote Similarity NPD1407 Approved
0.6139 Remote Similarity NPD4822 Approved
0.6139 Remote Similarity NPD4820 Approved
0.6139 Remote Similarity NPD4821 Approved
0.6139 Remote Similarity NPD4819 Approved
0.6129 Remote Similarity NPD8274 Clinical (unspecified phase)
0.6129 Remote Similarity NPD8444 Approved
0.6106 Remote Similarity NPD5344 Discontinued
0.61 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6094 Remote Similarity NPD7736 Approved
0.608 Remote Similarity NPD6370 Approved
0.6078 Remote Similarity NPD4790 Discontinued
0.6075 Remote Similarity NPD1695 Approved
0.6066 Remote Similarity NPD7115 Discovery
0.6066 Remote Similarity NPD6009 Approved
0.6066 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6063 Remote Similarity NPD8451 Approved
0.6048 Remote Similarity NPD6319 Approved
0.6019 Remote Similarity NPD6435 Approved
0.6018 Remote Similarity NPD7639 Approved
0.6018 Remote Similarity NPD7640 Approved
0.6016 Remote Similarity NPD8448 Approved
0.6016 Remote Similarity NPD8293 Discontinued
0.6 Remote Similarity NPD5363 Approved
0.6 Remote Similarity NPD6882 Approved
0.6 Remote Similarity NPD1733 Clinical (unspecified phase)
0.5984 Remote Similarity NPD7492 Approved
0.598 Remote Similarity NPD4252 Approved
0.5969 Remote Similarity NPD8337 Approved
0.5969 Remote Similarity NPD8336 Approved
0.5962 Remote Similarity NPD5331 Approved
0.5962 Remote Similarity NPD5332 Approved
0.595 Remote Similarity NPD4632 Approved
0.5946 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5943 Remote Similarity NPD5786 Approved
0.5938 Remote Similarity NPD6616 Approved
0.5929 Remote Similarity NPD7638 Approved
0.5926 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5926 Remote Similarity NPD6101 Approved
0.592 Remote Similarity NPD6054 Approved
0.5895 Remote Similarity NPD897 Approved
0.5895 Remote Similarity NPD896 Approved
0.5895 Remote Similarity NPD898 Approved
0.5895 Remote Similarity NPD4247 Clinical (unspecified phase)
0.5891 Remote Similarity NPD7078 Approved
0.5888 Remote Similarity NPD7524 Approved
0.5878 Remote Similarity NPD8391 Approved
0.5878 Remote Similarity NPD8392 Approved
0.5878 Remote Similarity NPD8390 Approved
0.5873 Remote Similarity NPD6016 Approved
0.5873 Remote Similarity NPD6015 Approved
0.5872 Remote Similarity NPD5785 Approved
0.5868 Remote Similarity NPD8297 Approved
0.5865 Remote Similarity NPD4269 Approved
0.5865 Remote Similarity NPD4270 Approved
0.5852 Remote Similarity NPD7966 Clinical (unspecified phase)
0.5849 Remote Similarity NPD6082 Clinical (unspecified phase)
0.5833 Remote Similarity NPD6421 Discontinued
0.5827 Remote Similarity NPD5988 Approved
0.5825 Remote Similarity NPD5368 Approved
0.5818 Remote Similarity NPD6411 Approved
0.5794 Remote Similarity NPD6059 Approved
0.5789 Remote Similarity NPD8338 Approved
0.5766 Remote Similarity NPD6399 Phase 3
0.5755 Remote Similarity NPD7338 Clinical (unspecified phase)
0.575 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5739 Remote Similarity NPD6648 Approved
0.5714 Remote Similarity NPD5697 Approved
0.5714 Remote Similarity NPD7260 Phase 2
0.5686 Remote Similarity NPD4756 Discovery
0.5673 Remote Similarity NPD7332 Phase 2
0.5667 Remote Similarity NPD6881 Approved
0.5667 Remote Similarity NPD6899 Approved
0.566 Remote Similarity NPD6695 Phase 3
0.5656 Remote Similarity NPD6649 Approved
0.5656 Remote Similarity NPD6650 Approved
0.5639 Remote Similarity NPD6007 Clinical (unspecified phase)
0.563 Remote Similarity NPD7128 Approved
0.563 Remote Similarity NPD6402 Approved
0.563 Remote Similarity NPD5739 Approved
0.563 Remote Similarity NPD6675 Approved
0.5625 Remote Similarity NPD5983 Phase 2
0.562 Remote Similarity NPD6014 Approved
0.562 Remote Similarity NPD6372 Approved
0.562 Remote Similarity NPD6013 Approved
0.562 Remote Similarity NPD6373 Approved
0.562 Remote Similarity NPD6012 Approved
0.5619 Remote Similarity NPD5369 Approved
0.56 Remote Similarity NPD3181 Approved

Structure

External Identifiers

PubChem CID   443354
ChEMBL   CHEMBL460031
ZINC  

Physicochemical Properties

Molecular Weight:  374.12
ALogP:  -3.1722
MLogP:  2.12
XLogP:  -2.175
# Rotatable Bonds:  11
Polar Surface Area:  166.14
# H-Bond Aceptor:  10
# H-Bond Donor:  6
# Rings:  3
# Heavy Atoms:  26

Download Data

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