Natural Product: NPC161293

Natural Product ID:  NPC161293
Common Name:   Gardoside
IUPAC Name:   (1S,4aS,6S,7aS)-6-hydroxy-7-methylidene-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
Synonyms:  
Molecular Formula:   C16H22O10
Standard InCHIKey:  JSKCJJNYSGWZDU-RQJSCMEKSA-N
Standard InCHI:  InChI=1S/C16H22O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4,6,8-13,15-21H,1-3H2,(H,22,23)/t6-,8+,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(=C)[C@H](C3)O)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
NPO20005 Penstemon barbatus Species Plantaginaceae Eukaryota PMID[26351040]
NPO33113 castilleja tenuiflora Species Orobanchaceae Eukaryota PMID[26351040]
NPO33328 cresentia alata Species NA NA PMID[26351040]
NPO33356 vitex mollis Species Lamiaceae Eukaryota PMID[26351040]
NPO14065 Artemisia koidzumii Species Asteraceae Eukaryota UNPD*
NPO3599 Rheum maximowiczii Species Polygonaceae Eukaryota UNPD*
NPO5598 Caesalpinia brevifolia Species Fabaceae Eukaryota UNPD*
NPO4005 Andrachne rotundifolia Species Phyllanthaceae Eukaryota UNPD*
NPO13951 Phialophora alba Species Herpotrichiellaceae Eukaryota UNPD*
NPO11946 Cleistanthus gracilis Species Phyllanthaceae Eukaryota UNPD*
NPO15078 Suckleya suckleyana Species Chenopodiaceae Eukaryota UNPD*
NPO14207 Euphorbia neriifolia Species Euphorbiaceae Eukaryota UNPD*
NPO214 Platycodon grandiflorus Species Campanulaceae Eukaryota UNPD*
NPO9518 Gardenia jasminoides Species Rubiaceae Eukaryota TM-MC*
NPO9518 Gardenia jasminoides Species Rubiaceae Eukaryota TCMID*
NPO583 Goniothalamus gardneri Species Annonaceae Eukaryota TCMID*
NPO12531 Gmelina philippensis Species Lamiaceae Eukaryota TCMID*
NPO2580 Globularia vulgaris Species Plantaginaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens Inhibition = 51.7 % 26351040
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens Inhibition = 51.4 % 26351040
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens Inhibition = 48.2 % 26351040
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens Inhibition = 34.6 % 26351040
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens Inhibition = 35.1 % 26351040
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens Inhibition = 35.5 % 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 NPC161293 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
0.9362 High Similarity NPC287539
0.9362 High Similarity NPC3488
0.9175 High Similarity NPC127235
0.9062 High Similarity NPC474730
0.9062 High Similarity NPC4899
0.9062 High Similarity NPC177013
0.9062 High Similarity NPC35185
0.898 High Similarity NPC170432
0.8969 High Similarity NPC475928
0.8969 High Similarity NPC37240
0.8889 High Similarity NPC197813
0.8889 High Similarity NPC148270
0.8889 High Similarity NPC80338
0.8723 High Similarity NPC63897
0.8673 High Similarity NPC80144
0.8673 High Similarity NPC106668
0.8673 High Similarity NPC304163
0.8627 High Similarity NPC193741
0.8614 High Similarity NPC110701
0.8586 High Similarity NPC27687
0.8542 High Similarity NPC241911
0.8462 Intermediate Similarity NPC475924
0.8462 Intermediate Similarity NPC475851
0.8404 Intermediate Similarity NPC270908
0.8404 Intermediate Similarity NPC470573
0.8404 Intermediate Similarity NPC65665
0.8404 Intermediate Similarity NPC216826
0.8404 Intermediate Similarity NPC231710
0.8404 Intermediate Similarity NPC120021
0.8384 Intermediate Similarity NPC67296
0.8367 Intermediate Similarity NPC37866
0.8367 Intermediate Similarity NPC249171
0.8367 Intermediate Similarity NPC49833
0.8351 Intermediate Similarity NPC474297
0.8283 Intermediate Similarity NPC255677
0.8283 Intermediate Similarity NPC22149
0.8283 Intermediate Similarity NPC306344
0.8211 Intermediate Similarity NPC117596
0.8211 Intermediate Similarity NPC307699
0.82 Intermediate Similarity NPC28304
0.82 Intermediate Similarity NPC298255
0.8125 Intermediate Similarity NPC472125
0.8125 Intermediate Similarity NPC472126
0.8125 Intermediate Similarity NPC472124
0.8119 Intermediate Similarity NPC250545
0.8119 Intermediate Similarity NPC13171
0.8119 Intermediate Similarity NPC195510
0.8081 Intermediate Similarity NPC304445
0.8081 Intermediate Similarity NPC236580
0.8081 Intermediate Similarity NPC472290
0.8061 Intermediate Similarity NPC101051
0.8058 Intermediate Similarity NPC41681
0.8041 Intermediate Similarity NPC61201
0.8039 Intermediate Similarity NPC284929
0.8039 Intermediate Similarity NPC118761
0.8039 Intermediate Similarity NPC267869
0.8039 Intermediate Similarity NPC234304
0.8039 Intermediate Similarity NPC473148
0.8039 Intermediate Similarity NPC197541
0.7961 Intermediate Similarity NPC86095
0.7941 Intermediate Similarity NPC222062
0.7941 Intermediate Similarity NPC310804
0.7941 Intermediate Similarity NPC261117
0.7938 Intermediate Similarity NPC274274
0.7938 Intermediate Similarity NPC473150
0.7938 Intermediate Similarity NPC235051
0.7938 Intermediate Similarity NPC294643
0.7917 Intermediate Similarity NPC93190
0.7917 Intermediate Similarity NPC50464
0.79 Intermediate Similarity NPC261372
0.79 Intermediate Similarity NPC263674
0.79 Intermediate Similarity NPC58267
0.7879 Intermediate Similarity NPC93869
0.7879 Intermediate Similarity NPC6765
0.7822 Intermediate Similarity NPC472015
0.7778 Intermediate Similarity NPC274588
0.7745 Intermediate Similarity NPC473146
0.77 Intermediate Similarity NPC167893
0.767 Intermediate Similarity NPC216911
0.7653 Intermediate Similarity NPC303451
0.7653 Intermediate Similarity NPC6414
0.7642 Intermediate Similarity NPC254538
0.7642 Intermediate Similarity NPC474285
0.7624 Intermediate Similarity NPC284063
0.7624 Intermediate Similarity NPC170527
0.7624 Intermediate Similarity NPC306041
0.7604 Intermediate Similarity NPC470657
0.7579 Intermediate Similarity NPC3464
0.7579 Intermediate Similarity NPC475963
0.7579 Intermediate Similarity NPC151176
0.7576 Intermediate Similarity NPC472197
0.7573 Intermediate Similarity NPC476320
0.7573 Intermediate Similarity NPC476211
0.7549 Intermediate Similarity NPC86843
0.7526 Intermediate Similarity NPC31349
0.7525 Intermediate Similarity NPC170204
0.7524 Intermediate Similarity NPC329834
0.75 Intermediate Similarity NPC27474
0.75 Intermediate Similarity NPC476230
0.75 Intermediate Similarity NPC118225
0.75 Intermediate Similarity NPC20673
0.7429 Intermediate Similarity NPC94919
0.7429 Intermediate Similarity NPC471599
0.7426 Intermediate Similarity NPC71589
0.7423 Intermediate Similarity NPC171484
0.7423 Intermediate Similarity NPC149018
0.7404 Intermediate Similarity NPC244878
0.74 Intermediate Similarity NPC472199
0.7396 Intermediate Similarity NPC259296
0.7396 Intermediate Similarity NPC98276
0.7391 Intermediate Similarity NPC470829
0.7391 Intermediate Similarity NPC473228
0.7391 Intermediate Similarity NPC202051
0.7379 Intermediate Similarity NPC476613
0.7379 Intermediate Similarity NPC471150
0.7379 Intermediate Similarity NPC476612
0.7358 Intermediate Similarity NPC329704
0.7353 Intermediate Similarity NPC469543
0.7347 Intermediate Similarity NPC74139
0.7333 Intermediate Similarity NPC476228
0.7333 Intermediate Similarity NPC219038
0.7333 Intermediate Similarity NPC476611
0.7327 Intermediate Similarity NPC472196
0.7327 Intermediate Similarity NPC472195
0.7327 Intermediate Similarity NPC238090
0.7321 Intermediate Similarity NPC472274
0.7308 Intermediate Similarity NPC151093
0.7282 Intermediate Similarity NPC54731
0.7281 Intermediate Similarity NPC13710
0.7273 Intermediate Similarity NPC207114
0.7273 Intermediate Similarity NPC217983
0.7273 Intermediate Similarity NPC473151
0.7257 Intermediate Similarity NPC88945
0.7255 Intermediate Similarity NPC159698
0.7255 Intermediate Similarity NPC472198
0.7248 Intermediate Similarity NPC177524
0.7248 Intermediate Similarity NPC219900
0.7248 Intermediate Similarity NPC392
0.7245 Intermediate Similarity NPC187661
0.7234 Intermediate Similarity NPC323472
0.7232 Intermediate Similarity NPC132668
0.7228 Intermediate Similarity NPC66504
0.7228 Intermediate Similarity NPC470373
0.7228 Intermediate Similarity NPC470379
0.7227 Intermediate Similarity NPC152091
0.7222 Intermediate Similarity NPC210178
0.7216 Intermediate Similarity NPC474780
0.7216 Intermediate Similarity NPC136699
0.7216 Intermediate Similarity NPC220167
0.7212 Intermediate Similarity NPC474313
0.7203 Intermediate Similarity NPC318135
0.72 Intermediate Similarity NPC38392
0.72 Intermediate Similarity NPC22918
0.72 Intermediate Similarity NPC92974
0.7193 Intermediate Similarity NPC473304
0.719 Intermediate Similarity NPC213634
0.7184 Intermediate Similarity NPC36954
0.7172 Intermediate Similarity NPC258501
0.7172 Intermediate Similarity NPC186148
0.717 Intermediate Similarity NPC4637
0.717 Intermediate Similarity NPC471401
0.717 Intermediate Similarity NPC98859
0.7157 Intermediate Similarity NPC475912
0.7157 Intermediate Similarity NPC475788
0.7157 Intermediate Similarity NPC320089
0.7156 Intermediate Similarity NPC287269
0.7143 Intermediate Similarity NPC174836
0.7131 Intermediate Similarity NPC155529
0.713 Intermediate Similarity NPC475309
0.7129 Intermediate Similarity NPC206614
0.7129 Intermediate Similarity NPC474323
0.7129 Intermediate Similarity NPC246173
0.7129 Intermediate Similarity NPC19087
0.7117 Intermediate Similarity NPC114961
0.7117 Intermediate Similarity NPC127153
0.7117 Intermediate Similarity NPC106760
0.7117 Intermediate Similarity NPC83005
0.7117 Intermediate Similarity NPC27551
0.7115 Intermediate Similarity NPC256230
0.7115 Intermediate Similarity NPC476009
0.7113 Intermediate Similarity NPC128246
0.7105 Intermediate Similarity NPC277583
0.7105 Intermediate Similarity NPC229752
0.7103 Intermediate Similarity NPC201191
0.71 Intermediate Similarity NPC148534
0.71 Intermediate Similarity NPC137368
0.71 Intermediate Similarity NPC58219
0.71 Intermediate Similarity NPC177629
0.7097 Intermediate Similarity NPC158350
0.7094 Intermediate Similarity NPC42675
0.7091 Intermediate Similarity NPC295389
0.7091 Intermediate Similarity NPC88744
0.7091 Intermediate Similarity NPC475960
0.7091 Intermediate Similarity NPC473807
0.7091 Intermediate Similarity NPC224414
0.7091 Intermediate Similarity NPC230888
0.7087 Intermediate Similarity NPC190294
0.708 Intermediate Similarity NPC73986
0.7075 Intermediate Similarity NPC471381
0.7075 Intermediate Similarity NPC186861

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC161293 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
0.7248 Intermediate Similarity NPD6686 Approved
0.7 Intermediate Similarity NPD6412 Phase 2
0.6961 Remote Similarity NPD46 Approved
0.6961 Remote Similarity NPD6698 Approved
0.6949 Remote Similarity NPD8513 Phase 3
0.693 Remote Similarity NPD8133 Approved
0.69 Remote Similarity NPD4249 Approved
0.6893 Remote Similarity NPD7983 Approved
0.686 Remote Similarity NPD7507 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 NPD8517 Approved
0.6754 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6696 Remote Similarity NPD6053 Discontinued
0.6694 Remote Similarity NPD7319 Approved
0.6667 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7503 Approved
0.661 Remote Similarity NPD8137 Clinical (unspecified phase)
0.66 Remote Similarity NPD7154 Phase 3
0.6555 Remote Similarity NPD7641 Discontinued
0.65 Remote Similarity NPD6435 Approved
0.6481 Remote Similarity NPD7839 Suspended
0.6475 Remote Similarity NPD8080 Discontinued
0.6465 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6423 Remote Similarity NPD7829 Approved
0.6423 Remote Similarity NPD7830 Approved
0.6404 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6393 Remote Similarity NPD8274 Clinical (unspecified phase)
0.6355 Remote Similarity NPD5778 Approved
0.6355 Remote Similarity NPD5779 Approved
0.6349 Remote Similarity NPD7736 Approved
0.6341 Remote Similarity NPD6370 Approved
0.6333 Remote Similarity NPD6009 Approved
0.6333 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6311 Remote Similarity NPD6319 Approved
0.63 Remote Similarity NPD5368 Approved
0.6293 Remote Similarity NPD8132 Clinical (unspecified phase)
0.629 Remote Similarity NPD8328 Phase 3
0.6281 Remote Similarity NPD7328 Approved
0.6281 Remote Similarity NPD7327 Approved
0.6275 Remote Similarity NPD5362 Discontinued
0.6271 Remote Similarity NPD6882 Approved
0.627 Remote Similarity NPD8074 Phase 3
0.627 Remote Similarity NPD8293 Discontinued
0.6263 Remote Similarity NPD4271 Approved
0.6263 Remote Similarity NPD4268 Approved
0.626 Remote Similarity NPD8033 Approved
0.625 Remote Similarity NPD5786 Approved
0.624 Remote Similarity NPD8299 Approved
0.624 Remote Similarity NPD7492 Approved
0.624 Remote Similarity NPD8342 Approved
0.624 Remote Similarity NPD8341 Approved
0.624 Remote Similarity NPD8340 Approved
0.6239 Remote Similarity NPD6371 Approved
0.623 Remote Similarity NPD7516 Approved
0.6228 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6218 Remote Similarity NPD4632 Approved
0.619 Remote Similarity NPD6616 Approved
0.6179 Remote Similarity NPD8294 Approved
0.6179 Remote Similarity NPD8377 Approved
0.6179 Remote Similarity NPD6054 Approved
0.6168 Remote Similarity NPD7838 Discovery
0.616 Remote Similarity NPD7642 Approved
0.6154 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6154 Remote Similarity NPD5363 Approved
0.6142 Remote Similarity NPD7078 Approved
0.6139 Remote Similarity NPD4822 Approved
0.6139 Remote Similarity NPD4820 Approved
0.6139 Remote Similarity NPD4819 Approved
0.6139 Remote Similarity NPD4821 Approved
0.6134 Remote Similarity NPD8297 Approved
0.6129 Remote Similarity NPD8379 Approved
0.6129 Remote Similarity NPD8378 Approved
0.6129 Remote Similarity NPD6015 Approved
0.6129 Remote Similarity NPD8296 Approved
0.6129 Remote Similarity NPD8444 Approved
0.6129 Remote Similarity NPD8380 Approved
0.6129 Remote Similarity NPD6016 Approved
0.6129 Remote Similarity NPD8335 Approved
0.6087 Remote Similarity NPD4056 Clinical (unspecified phase)
0.6087 Remote Similarity NPD4057 Clinical (unspecified phase)
0.608 Remote Similarity NPD5988 Approved
0.6075 Remote Similarity NPD6101 Approved
0.6075 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6064 Remote Similarity NPD898 Approved
0.6064 Remote Similarity NPD896 Approved
0.6064 Remote Similarity NPD897 Approved
0.6063 Remote Similarity NPD8451 Approved
0.6048 Remote Similarity NPD6059 Approved
0.6019 Remote Similarity NPD5785 Approved
0.6019 Remote Similarity NPD4270 Approved
0.6019 Remote Similarity NPD4269 Approved
0.6018 Remote Similarity NPD7639 Approved
0.6018 Remote Similarity NPD7640 Approved
0.6016 Remote Similarity NPD8448 Approved
0.6 Remote Similarity NPD5282 Discontinued
0.5983 Remote Similarity NPD5697 Approved
0.598 Remote Similarity NPD4252 Approved
0.5969 Remote Similarity NPD8336 Approved
0.5969 Remote Similarity NPD8337 Approved
0.5963 Remote Similarity NPD6411 Approved
0.5963 Remote Similarity NPD7637 Suspended
0.5962 Remote Similarity NPD6110 Phase 1
0.5946 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5935 Remote Similarity NPD7115 Discovery
0.5932 Remote Similarity NPD6881 Approved
0.5932 Remote Similarity NPD6899 Approved
0.5932 Remote Similarity NPD5345 Clinical (unspecified phase)
0.5929 Remote Similarity NPD4225 Approved
0.5929 Remote Similarity NPD7638 Approved
0.5926 Remote Similarity NPD1695 Approved
0.5922 Remote Similarity NPD4790 Discontinued
0.5922 Remote Similarity NPD5369 Approved
0.5917 Remote Similarity NPD6650 Approved
0.5917 Remote Similarity NPD6649 Approved
0.5913 Remote Similarity NPD8085 Approved
0.5913 Remote Similarity NPD8082 Approved
0.5913 Remote Similarity NPD8084 Approved
0.5913 Remote Similarity NPD8138 Approved
0.5913 Remote Similarity NPD8086 Approved
0.5913 Remote Similarity NPD8083 Approved
0.5913 Remote Similarity NPD8139 Approved
0.5905 Remote Similarity NPD6400 Clinical (unspecified phase)
0.5897 Remote Similarity NPD5739 Approved
0.5897 Remote Similarity NPD7128 Approved
0.5897 Remote Similarity NPD6675 Approved
0.5897 Remote Similarity NPD6402 Approved
0.5882 Remote Similarity NPD6373 Approved
0.5882 Remote Similarity NPD6012 Approved
0.5882 Remote Similarity NPD6013 Approved
0.5882 Remote Similarity NPD6372 Approved
0.5882 Remote Similarity NPD6014 Approved
0.5878 Remote Similarity NPD8391 Approved
0.5878 Remote Similarity NPD8392 Approved
0.5878 Remote Similarity NPD8390 Approved
0.5873 Remote Similarity NPD8267 Approved
0.5873 Remote Similarity NPD5983 Phase 2
0.5873 Remote Similarity NPD8269 Approved
0.5873 Remote Similarity NPD8266 Approved
0.5873 Remote Similarity NPD8268 Approved
0.5862 Remote Similarity NPD8276 Approved
0.5862 Remote Similarity NPD8275 Approved
0.5852 Remote Similarity NPD7966 Clinical (unspecified phase)
0.5847 Remote Similarity NPD5701 Approved
0.5833 Remote Similarity NPD7290 Approved
0.5833 Remote Similarity NPD7260 Phase 2
0.5833 Remote Similarity NPD7102 Approved
0.5833 Remote Similarity NPD6883 Approved
0.5826 Remote Similarity NPD5344 Discontinued
0.5812 Remote Similarity NPD8081 Approved
0.581 Remote Similarity NPD5331 Approved
0.581 Remote Similarity NPD5332 Approved
0.5798 Remote Similarity NPD7320 Approved
0.5798 Remote Similarity NPD6011 Approved
0.5789 Remote Similarity NPD8338 Approved
0.5785 Remote Similarity NPD6847 Approved
0.5785 Remote Similarity NPD8130 Phase 1
0.5785 Remote Similarity NPD6617 Approved
0.5785 Remote Similarity NPD6869 Approved
0.5784 Remote Similarity NPD4802 Phase 2
0.5784 Remote Similarity NPD5784 Clinical (unspecified phase)
0.5784 Remote Similarity NPD4238 Approved
0.5781 Remote Similarity NPD7604 Phase 2
0.5781 Remote Similarity NPD6067 Discontinued
0.5776 Remote Similarity NPD5211 Phase 2
0.5766 Remote Similarity NPD6399 Phase 3
0.5763 Remote Similarity NPD6008 Approved
0.5763 Remote Similarity NPD8393 Approved
0.5758 Remote Similarity NPD6007 Clinical (unspecified phase)
0.5758 Remote Similarity NPD3181 Approved
0.575 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5741 Remote Similarity NPD7524 Approved
0.5728 Remote Similarity NPD7329 Approved
0.5714 Remote Similarity NPD8307 Discontinued
0.5714 Remote Similarity NPD8140 Approved
0.5702 Remote Similarity NPD6083 Phase 2
0.5702 Remote Similarity NPD6084 Phase 2
0.5702 Remote Similarity NPD4634 Approved
0.5701 Remote Similarity NPD6082 Clinical (unspecified phase)
0.5692 Remote Similarity NPD6336 Discontinued
0.5678 Remote Similarity NPD5141 Approved
0.5676 Remote Similarity NPD8034 Phase 2
0.5676 Remote Similarity NPD8035 Phase 2
0.5672 Remote Similarity NPD6845 Suspended
0.5664 Remote Similarity NPD5695 Phase 3
0.566 Remote Similarity NPD4788 Approved
0.566 Remote Similarity NPD3669 Approved
0.566 Remote Similarity NPD3670 Clinical (unspecified phase)
0.5648 Remote Similarity NPD6422 Discontinued
0.5641 Remote Similarity NPD7632 Discontinued
0.562 Remote Similarity NPD8306 Approved
0.562 Remote Similarity NPD8305 Approved
0.5619 Remote Similarity NPD1780 Approved
0.5619 Remote Similarity NPD1779 Approved
0.5607 Remote Similarity NPD7338 Clinical (unspecified phase)
0.5606 Remote Similarity NPD6033 Approved
0.5603 Remote Similarity NPD5286 Approved
0.5603 Remote Similarity NPD5285 Approved

Structure

External Identifiers

PubChem CID   46173850
ChEMBL   CHEMBL3622810
ZINC  

Physicochemical Properties

Molecular Weight:  374.12
ALogP:  -2.8013
MLogP:  2.12
XLogP:  -2.068
# Rotatable Bonds:  10
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  
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Biological Activities  
Similar NPs/Drugs