Natural Product: NPC2003

Natural Product ID:  NPC2003
Common Name:   (6R,9R)-3-Oxo-Alpha-Ionol-Beta-D-Glucopyranoside
IUPAC Name:   (4R)-3,5,5-trimethyl-4-[(E,3R)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one
Synonyms:  
Molecular Formula:   C19H30O7
Standard InCHIKey:  SZOPSAFLRCYJCX-ITEOXOHJSA-N
Standard InCHI:  InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13+,14-,15-,16+,17-,18-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](O[C@@H](/C=C/[C@H]2C(=CC(=O)CC2(C)C)C)C)[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
NPO10798 Cis punctifer Species Ciidae Eukaryota UNPD*
NPO1581 Passiflora caerulea Species Passifloraceae Eukaryota UNPD*
NPO19369 Bacillus thuringiensis Species Bacillaceae Bacteria UNPD*
NPO29479 Epilobium rosmarinifolium Species Onagraceae Eukaryota UNPD*
NPO10081 Othonna sedifolia Species Asteraceae Eukaryota UNPD*
NPO6330 Croton caudatus Species Euphorbiaceae Eukaryota UNPD*
NPO22821.1 Chamaecyparis obtusa var. formosana Varieties Cupressaceae Eukaryota UNPD*
NPO7463 Ranzania japonica Species Berberidaceae Eukaryota UNPD*
NPO10536 Rhabdonia verticillata Species Areschougiaceae Eukaryota UNPD*
NPO896 Streptomyces kanamyceticus Species Streptomycetaceae Bacteria UNPD*
NPO305 Vitex pinnata Species Lamiaceae Eukaryota UNPD*
NPO6724 Glycosmis stenocarpa Species Rutaceae Eukaryota UNPD*
NPO26396 Coprinopsis atramentaria Species Psathyrellaceae Eukaryota UNPD*
NPO5118 Zanthoxylum myriacanthum Species Rutaceae Eukaryota UNPD*
NPO557 Bhesa nitidissima Species Centroplacaceae Eukaryota UNPD*
NPO12153 Adenia globosa Species Passifloraceae Eukaryota UNPD*
NPO5508 Stevia purpurea Species Asteraceae Eukaryota UNPD*
NPO9231 Mikania mendocina Species Asteraceae Eukaryota UNPD*
NPO15164 Jacobaea adonidifolia Species Asteraceae Eukaryota UNPD*
NPO1209 Swartzia madagascariensis Species Fabaceae Eukaryota UNPD*
NPO3453 Elaeocarpus fuscoides Species Elaeocarpaceae Eukaryota UNPD*
NPO11884 Macaranga tanarius Species Euphorbiaceae Eukaryota UNPD*
NPO10304 Colletotrichum gloeosporioides Species Glomerellaceae Eukaryota UNPD*
NPO28621 Sepedonium ampullosporum Species Hypocreaceae Eukaryota UNPD*
NPO29575 Ardisiae japonicae herba NA NA NA TCMSP*
NPO12330 Pseudophryne coriacea Species Myobatrachidae Eukaryota UNPD*
NPO29713 Daturae flos NA NA NA TCMSP*
NPO10729 Lechevalieria aerocolonigenes Species Pseudonocardiaceae Bacteria UNPD*
NPO29546 Eriobotryae folium NA NA NA TCMSP*
NPO12613 Catunaregam tomentosa Species Rubiaceae Eukaryota UNPD*
NPO11452 Pterocarpus officinalis Species Fabaceae Eukaryota UNPD*
NPO23577 Wolfiporia cocos Species Coriolaceae Eukaryota UNPD*
NPO7968 Artemisia kurramensis Species Asteraceae Eukaryota UNPD*
NPO11544 Vernonia lanuginosa Species Asteraceae Eukaryota UNPD*
NPO3280 Penicillium crustaceum Species Aspergillaceae Eukaryota UNPD*
NPO11583 Calycanthus floridus Species Calycanthaceae Eukaryota UNPD*
NPO7779 Impatiens edgeworthii Species Balsaminaceae Eukaryota UNPD*
NPO6802 Rothmannia wittii Species Rubiaceae Eukaryota UNPD*
NPO28762 Alstonia angustifolia Species Apocynaceae Eukaryota UNPD*
NPO9447 Tolypothrix tenuis Species Tolypothrichaceae Bacteria UNPD*
NPO1252 Aglaia grandis Species Meliaceae Eukaryota UNPD*
NPO17799 Siraitia grosvenorii Species Cucurbitaceae Eukaryota UNPD*
NPO477 Lepraria xanthina Species Stereocaulaceae Eukaryota UNPD*
NPO5344 Calodendrum capense Species Rutaceae Eukaryota UNPD*
NPO540 Anaphalis araneosa Species Asteraceae Eukaryota UNPD*
NPO10483 Chrysanthemum sinense Species Asteraceae Eukaryota UNPD*
NPO8120 Episcia cupreata Species Gesneriaceae Eukaryota UNPD*
NPO9265 Jasonia candicans Species Asteraceae Eukaryota UNPD*
NPO1524 Rosa rugosa Species Rosaceae Eukaryota Roots PMID[24461297]
NPO29108 Strychnos pseudoquina Species Loganiaceae Eukaryota UNPD*
NPO6341 Magonia glabrata Species Sapindaceae Eukaryota UNPD*
NPO26719 Tetrapanax papyrifer Species Araliaceae Eukaryota UNPD*
NPO29431 Rhapis humilis Species Arecaceae Eukaryota UNPD*
NPO16285 Stachys byzantina Species Lamiaceae Eukaryota UNPD*
NPO12721 Liriodendron tulipifera Species Magnoliaceae Eukaryota UNPD*
NPO8543 Meconopsis horridula Species Papaveraceae Eukaryota UNPD*
NPO7087 Oxera splendida Species Lamiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT462 Individual Protein Sucrase-isomaltase Rattus norvegicus IC50 > 1000000 nM 24461297
NPT462 Individual Protein Sucrase-isomaltase Rattus norvegicus Inhibition = 12.51 % 24461297

  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 NPC2003 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
1.0 High Similarity NPC25701
0.956 High Similarity NPC40182
0.956 High Similarity NPC198422
0.9348 High Similarity NPC81483
0.9348 High Similarity NPC307517
0.9348 High Similarity NPC169468
0.9348 High Similarity NPC61630
0.9032 High Similarity NPC474194
0.8958 High Similarity NPC151516
0.8817 High Similarity NPC108141
0.8778 High Similarity NPC471755
0.8778 High Similarity NPC471756
0.8723 High Similarity NPC256230
0.8557 High Similarity NPC154127
0.8542 High Similarity NPC70733
0.8542 High Similarity NPC56071
0.8469 Intermediate Similarity NPC223834
0.8316 Intermediate Similarity NPC294293
0.8298 Intermediate Similarity NPC477749
0.828 Intermediate Similarity NPC477748
0.8247 Intermediate Similarity NPC278506
0.8235 Intermediate Similarity NPC392
0.8235 Intermediate Similarity NPC177524
0.8235 Intermediate Similarity NPC219900
0.8191 Intermediate Similarity NPC202886
0.8182 Intermediate Similarity NPC198992
0.8144 Intermediate Similarity NPC143446
0.8132 Intermediate Similarity NPC266718
0.8077 Intermediate Similarity NPC83005
0.8061 Intermediate Similarity NPC309503
0.8061 Intermediate Similarity NPC96597
0.8061 Intermediate Similarity NPC155319
0.8061 Intermediate Similarity NPC125551
0.8061 Intermediate Similarity NPC239547
0.8061 Intermediate Similarity NPC91197
0.8039 Intermediate Similarity NPC82251
0.8021 Intermediate Similarity NPC61201
0.8021 Intermediate Similarity NPC474792
0.8021 Intermediate Similarity NPC91654
0.8021 Intermediate Similarity NPC67398
0.8021 Intermediate Similarity NPC320552
0.8 Intermediate Similarity NPC327253
0.7944 Intermediate Similarity NPC475163
0.7935 Intermediate Similarity NPC475035
0.7921 Intermediate Similarity NPC201191
0.7909 Intermediate Similarity NPC48692
0.7895 Intermediate Similarity NPC309310
0.7885 Intermediate Similarity NPC272576
0.7885 Intermediate Similarity NPC473288
0.7864 Intermediate Similarity NPC239961
0.785 Intermediate Similarity NPC311592
0.785 Intermediate Similarity NPC75167
0.7849 Intermediate Similarity NPC477747
0.7849 Intermediate Similarity NPC477746
0.7822 Intermediate Similarity NPC280991
0.7812 Intermediate Similarity NPC6414
0.7812 Intermediate Similarity NPC303451
0.781 Intermediate Similarity NPC246205
0.7802 Intermediate Similarity NPC280367
0.78 Intermediate Similarity NPC472015
0.7778 Intermediate Similarity NPC181145
0.7778 Intermediate Similarity NPC54731
0.7778 Intermediate Similarity NPC306041
0.7745 Intermediate Similarity NPC13171
0.7745 Intermediate Similarity NPC195510
0.7745 Intermediate Similarity NPC121423
0.7736 Intermediate Similarity NPC46407
0.7736 Intermediate Similarity NPC119550
0.7736 Intermediate Similarity NPC235014
0.7732 Intermediate Similarity NPC302584
0.7727 Intermediate Similarity NPC473828
0.7727 Intermediate Similarity NPC234522
0.7727 Intermediate Similarity NPC473617
0.7723 Intermediate Similarity NPC306344
0.7723 Intermediate Similarity NPC22149
0.7723 Intermediate Similarity NPC255677
0.7714 Intermediate Similarity NPC217921
0.7714 Intermediate Similarity NPC135015
0.7714 Intermediate Similarity NPC128795
0.7714 Intermediate Similarity NPC48548
0.77 Intermediate Similarity NPC266842
0.77 Intermediate Similarity NPC472290
0.7692 Intermediate Similarity NPC252296
0.7685 Intermediate Similarity NPC473159
0.7685 Intermediate Similarity NPC474410
0.7685 Intermediate Similarity NPC293658
0.7684 Intermediate Similarity NPC475037
0.766 Intermediate Similarity NPC34581
0.7653 Intermediate Similarity NPC474835
0.7653 Intermediate Similarity NPC238090
0.7653 Intermediate Similarity NPC472195
0.7653 Intermediate Similarity NPC472196
0.7653 Intermediate Similarity NPC320089
0.7647 Intermediate Similarity NPC28304
0.7647 Intermediate Similarity NPC285231
0.7647 Intermediate Similarity NPC21568
0.7647 Intermediate Similarity NPC298255
0.7642 Intermediate Similarity NPC316974
0.7642 Intermediate Similarity NPC40728
0.764 Intermediate Similarity NPC229655
0.7636 Intermediate Similarity NPC474483
0.7629 Intermediate Similarity NPC117596
0.7624 Intermediate Similarity NPC222303
0.7619 Intermediate Similarity NPC184512
0.7619 Intermediate Similarity NPC125423
0.7619 Intermediate Similarity NPC474285
0.7619 Intermediate Similarity NPC88013
0.7619 Intermediate Similarity NPC254538
0.7604 Intermediate Similarity NPC248312
0.7596 Intermediate Similarity NPC100955
0.7596 Intermediate Similarity NPC194941
0.7596 Intermediate Similarity NPC121566
0.7593 Intermediate Similarity NPC174836
0.7593 Intermediate Similarity NPC471967
0.7582 Intermediate Similarity NPC321728
0.7579 Intermediate Similarity NPC478112
0.7576 Intermediate Similarity NPC159698
0.7573 Intermediate Similarity NPC238397
0.7573 Intermediate Similarity NPC150463
0.7573 Intermediate Similarity NPC471363
0.7573 Intermediate Similarity NPC222062
0.7573 Intermediate Similarity NPC214277
0.7573 Intermediate Similarity NPC310804
0.7573 Intermediate Similarity NPC261117
0.7568 Intermediate Similarity NPC45475
0.7551 Intermediate Similarity NPC472197
0.7551 Intermediate Similarity NPC472126
0.7551 Intermediate Similarity NPC9447
0.7551 Intermediate Similarity NPC472125
0.7551 Intermediate Similarity NPC324157
0.7551 Intermediate Similarity NPC472124
0.7547 Intermediate Similarity NPC311223
0.7545 Intermediate Similarity NPC471816
0.7525 Intermediate Similarity NPC240372
0.7525 Intermediate Similarity NPC476613
0.7525 Intermediate Similarity NPC476612
0.7524 Intermediate Similarity NPC95243
0.7524 Intermediate Similarity NPC476738
0.7524 Intermediate Similarity NPC210178
0.7524 Intermediate Similarity NPC85670
0.7524 Intermediate Similarity NPC476740
0.7524 Intermediate Similarity NPC63023
0.7524 Intermediate Similarity NPC162033
0.7523 Intermediate Similarity NPC62696
0.7523 Intermediate Similarity NPC293038
0.7523 Intermediate Similarity NPC260665
0.7523 Intermediate Similarity NPC477944
0.7523 Intermediate Similarity NPC264153
0.7522 Intermediate Similarity NPC476204
0.7522 Intermediate Similarity NPC170084
0.75 Intermediate Similarity NPC469543
0.75 Intermediate Similarity NPC127933
0.75 Intermediate Similarity NPC197541
0.75 Intermediate Similarity NPC234304
0.75 Intermediate Similarity NPC134270
0.75 Intermediate Similarity NPC475889
0.75 Intermediate Similarity NPC170204
0.75 Intermediate Similarity NPC99266
0.75 Intermediate Similarity NPC475834
0.75 Intermediate Similarity NPC284929
0.75 Intermediate Similarity NPC474179
0.75 Intermediate Similarity NPC267869
0.75 Intermediate Similarity NPC472750
0.75 Intermediate Similarity NPC118761
0.75 Intermediate Similarity NPC309398
0.75 Intermediate Similarity NPC100697
0.75 Intermediate Similarity NPC472747
0.75 Intermediate Similarity NPC7613
0.75 Intermediate Similarity NPC7644
0.75 Intermediate Similarity NPC473070
0.7478 Intermediate Similarity NPC318135
0.7477 Intermediate Similarity NPC23046
0.7477 Intermediate Similarity NPC473405
0.7476 Intermediate Similarity NPC476611
0.7474 Intermediate Similarity NPC475034
0.7474 Intermediate Similarity NPC470124
0.7455 Intermediate Similarity NPC165439
0.7455 Intermediate Similarity NPC102088
0.7455 Intermediate Similarity NPC74727
0.7453 Intermediate Similarity NPC293512
0.7451 Intermediate Similarity NPC469565
0.7449 Intermediate Similarity NPC231710
0.7449 Intermediate Similarity NPC65665
0.7449 Intermediate Similarity NPC270908
0.7449 Intermediate Similarity NPC327183
0.7449 Intermediate Similarity NPC307699
0.7449 Intermediate Similarity NPC216826
0.7449 Intermediate Similarity NPC470573
0.7449 Intermediate Similarity NPC473311
0.7449 Intermediate Similarity NPC328935
0.7449 Intermediate Similarity NPC120021
0.7436 Intermediate Similarity NPC245094
0.7434 Intermediate Similarity NPC476127
0.7434 Intermediate Similarity NPC476150
0.7434 Intermediate Similarity NPC470312
0.7434 Intermediate Similarity NPC473130
0.7431 Intermediate Similarity NPC317460
0.7431 Intermediate Similarity NPC328074
0.7431 Intermediate Similarity NPC321272
0.7431 Intermediate Similarity NPC470025

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC2003 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
0.8235 Intermediate Similarity NPD6686 Approved
0.7961 Intermediate Similarity NPD6412 Phase 2
0.7449 Intermediate Similarity NPD46 Approved
0.7449 Intermediate Similarity NPD6698 Approved
0.7119 Intermediate Similarity NPD7507 Approved
0.7115 Intermediate Similarity NPD8029 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD7503 Approved
0.701 Intermediate Similarity NPD6400 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.6957 Remote Similarity NPD7328 Approved
0.6957 Remote Similarity NPD7327 Approved
0.6949 Remote Similarity NPD8328 Phase 3
0.6942 Remote Similarity NPD7319 Approved
0.6907 Remote Similarity NPD6110 Phase 1
0.6897 Remote Similarity NPD7516 Approved
0.6864 Remote Similarity NPD6370 Approved
0.6847 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6838 Remote Similarity NPD8294 Approved
0.6838 Remote Similarity NPD8377 Approved
0.6792 Remote Similarity NPD7638 Approved
0.6792 Remote Similarity NPD4225 Approved
0.678 Remote Similarity NPD8513 Phase 3
0.678 Remote Similarity NPD8378 Approved
0.678 Remote Similarity NPD8380 Approved
0.678 Remote Similarity NPD8517 Approved
0.678 Remote Similarity NPD8033 Approved
0.678 Remote Similarity NPD8516 Approved
0.678 Remote Similarity NPD8296 Approved
0.678 Remote Similarity NPD8335 Approved
0.678 Remote Similarity NPD8379 Approved
0.678 Remote Similarity NPD8515 Approved
0.6765 Remote Similarity NPD7838 Discovery
0.6754 Remote Similarity NPD8133 Approved
0.6729 Remote Similarity NPD7639 Approved
0.6729 Remote Similarity NPD7640 Approved
0.6726 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6695 Remote Similarity NPD6054 Approved
0.6639 Remote Similarity NPD6015 Approved
0.6639 Remote Similarity NPD6016 Approved
0.6637 Remote Similarity NPD6371 Approved
0.6585 Remote Similarity NPD7736 Approved
0.6583 Remote Similarity NPD5988 Approved
0.6581 Remote Similarity NPD7115 Discovery
0.6581 Remote Similarity NPD6009 Approved
0.6571 Remote Similarity NPD5282 Discontinued
0.6555 Remote Similarity NPD6059 Approved
0.6538 Remote Similarity NPD7983 Approved
0.6529 Remote Similarity NPD6067 Discontinued
0.6529 Remote Similarity NPD7830 Approved
0.6529 Remote Similarity NPD7829 Approved
0.6514 Remote Similarity NPD5344 Discontinued
0.6504 Remote Similarity NPD8293 Discontinued
0.6491 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6476 Remote Similarity NPD5778 Approved
0.6476 Remote Similarity NPD5779 Approved
0.6475 Remote Similarity NPD7492 Approved
0.6466 Remote Similarity NPD4632 Approved
0.6465 Remote Similarity NPD4752 Clinical (unspecified phase)
0.646 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6441 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6423 Remote Similarity NPD6616 Approved
0.6417 Remote Similarity NPD6319 Approved
0.6393 Remote Similarity NPD7642 Approved
0.6387 Remote Similarity NPD7641 Discontinued
0.6381 Remote Similarity NPD7637 Suspended
0.6381 Remote Similarity NPD6411 Approved
0.6379 Remote Similarity NPD6053 Discontinued
0.6379 Remote Similarity NPD6882 Approved
0.6371 Remote Similarity NPD7078 Approved
0.6364 Remote Similarity NPD8444 Approved
0.6355 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6337 Remote Similarity NPD3666 Approved
0.6337 Remote Similarity NPD3665 Phase 1
0.6337 Remote Similarity NPD3133 Approved
0.63 Remote Similarity NPD5209 Approved
0.6286 Remote Similarity NPD5785 Approved
0.6275 Remote Similarity NPD1694 Approved
0.6263 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6262 Remote Similarity NPD7748 Approved
0.624 Remote Similarity NPD8074 Phase 3
0.6239 Remote Similarity NPD8297 Approved
0.6239 Remote Similarity NPD7902 Approved
0.6239 Remote Similarity NPD6084 Phase 2
0.6239 Remote Similarity NPD6083 Phase 2
0.6228 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6228 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6228 Remote Similarity NPD5697 Approved
0.6226 Remote Similarity NPD7515 Phase 2
0.6224 Remote Similarity NPD5784 Clinical (unspecified phase)
0.622 Remote Similarity NPD5956 Approved
0.6214 Remote Similarity NPD5279 Phase 3
0.6214 Remote Similarity NPD3618 Phase 1
0.6214 Remote Similarity NPD4249 Approved
0.6207 Remote Similarity NPD4634 Approved
0.6204 Remote Similarity NPD5695 Phase 3
0.619 Remote Similarity NPD5764 Clinical (unspecified phase)
0.619 Remote Similarity NPD4753 Phase 2
0.619 Remote Similarity NPD6101 Approved
0.6174 Remote Similarity NPD6899 Approved
0.6174 Remote Similarity NPD6881 Approved
0.6172 Remote Similarity NPD7260 Phase 2
0.6168 Remote Similarity NPD6399 Phase 3
0.6161 Remote Similarity NPD5211 Phase 2
0.6161 Remote Similarity NPD7632 Discontinued
0.616 Remote Similarity NPD8451 Approved
0.6154 Remote Similarity NPD4250 Approved
0.6154 Remote Similarity NPD4251 Approved
0.6147 Remote Similarity NPD7839 Suspended
0.614 Remote Similarity NPD7128 Approved
0.614 Remote Similarity NPD6402 Approved
0.614 Remote Similarity NPD6675 Approved
0.614 Remote Similarity NPD5739 Approved
0.6139 Remote Similarity NPD3667 Approved
0.6126 Remote Similarity NPD4696 Approved
0.6126 Remote Similarity NPD6648 Approved
0.6126 Remote Similarity NPD5285 Approved
0.6126 Remote Similarity NPD5286 Approved
0.6121 Remote Similarity NPD6012 Approved
0.6121 Remote Similarity NPD6014 Approved
0.6121 Remote Similarity NPD6013 Approved
0.6111 Remote Similarity NPD8448 Approved
0.61 Remote Similarity NPD5790 Clinical (unspecified phase)
0.61 Remote Similarity NPD4695 Discontinued
0.6098 Remote Similarity NPD5983 Phase 2
0.6094 Remote Similarity NPD6914 Discontinued
0.6091 Remote Similarity NPD4755 Approved
0.6087 Remote Similarity NPD5701 Approved
0.6082 Remote Similarity NPD8039 Approved
0.6075 Remote Similarity NPD6079 Approved
0.6068 Remote Similarity NPD7102 Approved
0.6068 Remote Similarity NPD6883 Approved
0.6068 Remote Similarity NPD7290 Approved
0.6063 Remote Similarity NPD6033 Approved
0.6058 Remote Similarity NPD4623 Approved
0.6058 Remote Similarity NPD4519 Discontinued
0.6058 Remote Similarity NPD7146 Approved
0.6058 Remote Similarity NPD6409 Approved
0.6058 Remote Similarity NPD7334 Approved
0.6058 Remote Similarity NPD5330 Approved
0.6058 Remote Similarity NPD6684 Approved
0.6058 Remote Similarity NPD7521 Approved
0.6055 Remote Similarity NPD5210 Approved
0.6055 Remote Similarity NPD4629 Approved
0.6053 Remote Similarity NPD5141 Approved
0.6038 Remote Similarity NPD5328 Approved
0.6036 Remote Similarity NPD5696 Approved
0.6034 Remote Similarity NPD6011 Approved
0.6034 Remote Similarity NPD7320 Approved
0.6033 Remote Similarity NPD7500 Approved
0.6019 Remote Similarity NPD4202 Approved
0.6019 Remote Similarity NPD4786 Approved
0.6018 Remote Similarity NPD5225 Approved
0.6018 Remote Similarity NPD5226 Approved
0.6018 Remote Similarity NPD4633 Approved
0.6018 Remote Similarity NPD5224 Approved
0.6017 Remote Similarity NPD6650 Approved
0.6017 Remote Similarity NPD8130 Phase 1
0.6017 Remote Similarity NPD6847 Approved
0.6017 Remote Similarity NPD6649 Approved
0.6017 Remote Similarity NPD6869 Approved
0.6017 Remote Similarity NPD7116 Clinical (unspecified phase)
0.6017 Remote Similarity NPD6617 Approved
0.6 Remote Similarity NPD5222 Approved
0.6 Remote Similarity NPD7604 Phase 2
0.6 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6 Remote Similarity NPD7524 Approved
0.6 Remote Similarity NPD5221 Approved
0.5983 Remote Similarity NPD6372 Approved
0.5983 Remote Similarity NPD6373 Approved
0.5982 Remote Similarity NPD4700 Approved
0.598 Remote Similarity NPD6435 Approved
0.5969 Remote Similarity NPD8392 Approved
0.5969 Remote Similarity NPD8390 Approved
0.5969 Remote Similarity NPD8391 Approved
0.5965 Remote Similarity NPD5175 Approved
0.5965 Remote Similarity NPD5174 Approved
0.5963 Remote Similarity NPD7900 Approved
0.5963 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5952 Remote Similarity NPD8299 Approved
0.5952 Remote Similarity NPD8340 Approved
0.5952 Remote Similarity NPD8341 Approved
0.5952 Remote Similarity NPD8342 Approved
0.5946 Remote Similarity NPD5173 Approved
0.5943 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5943 Remote Similarity NPD6672 Approved
0.5943 Remote Similarity NPD5737 Approved
0.5943 Remote Similarity NPD6903 Approved
0.594 Remote Similarity NPD7966 Clinical (unspecified phase)
0.5929 Remote Similarity NPD5223 Approved
0.5926 Remote Similarity NPD5284 Approved
0.5926 Remote Similarity NPD5281 Approved
0.5926 Remote Similarity NPD5693 Phase 1
0.5922 Remote Similarity NPD7154 Phase 3
0.5918 Remote Similarity NPD8264 Approved
0.5906 Remote Similarity NPD6336 Discontinued
0.59 Remote Similarity NPD4271 Approved
0.59 Remote Similarity NPD4268 Approved
0.5865 Remote Similarity NPD7338 Clinical (unspecified phase)
0.5862 Remote Similarity NPD6008 Approved
0.5856 Remote Similarity NPD4697 Phase 3

Structure

External Identifiers

PubChem CID   9820702
ChEMBL   CHEMBL3114752
ZINC  

Physicochemical Properties

Molecular Weight:  370.20
ALogP:  -0.2473
MLogP:  2.78
XLogP:  1.071
# Rotatable Bonds:  13
Polar Surface Area:  116.45
# H-Bond Aceptor:  7
# H-Bond Donor:  4
# Rings:  2
# Heavy Atoms:  26

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Biological Activities  
Similar NPs/Drugs