Natural Product: NPC174336

Natural Product ID:  NPC174336
Common Name:   Avicin D
IUPAC Name:   [(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3-acetamido-6-[[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-3-[(2E,6R)-6-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-5-[(2E,6R)-6-hydroxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoyl]oxy-6-methyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoyl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Synonyms:   avicin D
Molecular Formula:   C98H155NO46
Standard InCHIKey:  HKEDBKXRDHFCFB-LUAQNYIXSA-N
Standard InCHI:  InChI=1S/C98H155NO46/c1-16-93(11,127)26-18-20-45(34-101)81(125)139-75-41(4)132-87(73(122)69(75)118)145-94(12,17-2)27-19-21-44(33-100)80(124)137-57-32-98(90(126)144-89-79(68(117)62(111)50(36-103)135-89)143-86-74(123)77(141-85-72(121)66(115)61(110)49(35-102)133-85)76(42(5)131-86)140-84-71(120)63(112)51(37-104)134-84)47(30-91(57,7)8)46-22-23-54-95(13)28-25-56(92(9,10)53(95)24-29-96(54,14)97(46,15)31-55(98)107)138-82-58(99-43(6)105)65(114)64(113)52(136-82)39-129-88-78(67(116)59(108)40(3)130-88)142-83-70(119)60(109)48(106)38-128-83/h16-17,20-22,40-42,47-79,82-89,100-104,106-123,127H,1-2,18-19,23-39H2,3-15H3,(H,99,105)/b44-21+,45-20+/t40-,41-,42+,47+,48-,49-,50-,51+,52-,53+,54-,55-,56+,57+,58-,59+,60+,61-,62-,63+,64-,65-,66+,67+,68+,69-,70-,71-,72-,73-,74-,75-,76+,77+,78-,79-,82+,83+,84+,85+,86+,87+,88-,89+,93+,94+,95+,96-,97-,98-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](OC(=O)[C@@]23C[C@H](OC(=O)/C(=C/CC[C@@](O[C@@H]4O[C@H](C)[C@H]([C@@H]([C@H]4O)O)OC(=O)/C(=C/CC[C@](C=C)(O)C)/CO)(C=C)C)/CO)C(C[C@H]3C3=CC[C@H]4[C@@]([C@@]3(C[C@H]2O)C)(C)CC[C@@H]2[C@]4(C)CC[C@@H](C2(C)C)O[C@@H]2O[C@H](CO[C@@H]3O[C@H](C)[C@@H]([C@@H]([C@H]3O[C@@H]3OC[C@H]([C@@H]([C@H]3O)O)O)O)O)[C@H]([C@@H]([C@H]2N=C(O)C)O)O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]1O)O)CO
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
NPO29529 Acacia victoriae Species Fabaceae Eukaryota PMID[12828461]
NPO2067 Acacia victoria Species Fabaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT15 Cell Line Jurkat Homo sapiens IC50 = 0.58 ug/ml 12828461

  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 NPC174336 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 NPC187497
1.0 High Similarity NPC100612
1.0 High Similarity NPC475599
1.0 High Similarity NPC113620
0.9929 High Similarity NPC265699
0.9929 High Similarity NPC475527
0.9357 High Similarity NPC475892
0.9286 High Similarity NPC475152
0.9286 High Similarity NPC475394
0.9286 High Similarity NPC475584
0.9143 High Similarity NPC82931
0.9143 High Similarity NPC210729
0.9143 High Similarity NPC172365
0.9 High Similarity NPC200788
0.9 High Similarity NPC243680
0.8897 High Similarity NPC61717
0.8897 High Similarity NPC244380
0.8857 High Similarity NPC145899
0.8786 High Similarity NPC75318
0.8786 High Similarity NPC280941
0.8786 High Similarity NPC235772
0.8759 High Similarity NPC298067
0.8759 High Similarity NPC214821
0.8714 High Similarity NPC76999
0.8649 High Similarity NPC298005
0.8649 High Similarity NPC36463
0.8643 High Similarity NPC73829
0.8643 High Similarity NPC119794
0.8642 High Similarity NPC475649
0.858 High Similarity NPC475345
0.8571 High Similarity NPC183816
0.8571 High Similarity NPC475444
0.8571 High Similarity NPC233223
0.8571 High Similarity NPC324933
0.8571 High Similarity NPC475177
0.8571 High Similarity NPC322904
0.8571 High Similarity NPC473679
0.8571 High Similarity NPC476113
0.8571 High Similarity NPC475472
0.8571 High Similarity NPC196874
0.8571 High Similarity NPC319719
0.8562 High Similarity NPC141669
0.85 High Similarity NPC300655
0.85 High Similarity NPC43589
0.85 High Similarity NPC311178
0.85 High Similarity NPC222951
0.8425 Intermediate Similarity NPC162910
0.8414 Intermediate Similarity NPC302276
0.8357 Intermediate Similarity NPC472269
0.8357 Intermediate Similarity NPC45606
0.8357 Intermediate Similarity NPC112492
0.8357 Intermediate Similarity NPC472268
0.8357 Intermediate Similarity NPC472270
0.8357 Intermediate Similarity NPC23020
0.8357 Intermediate Similarity NPC220838
0.8311 Intermediate Similarity NPC193579
0.8311 Intermediate Similarity NPC298469
0.8288 Intermediate Similarity NPC180770
0.8288 Intermediate Similarity NPC265908
0.8272 Intermediate Similarity NPC120667
0.8272 Intermediate Similarity NPC278272
0.8214 Intermediate Similarity NPC297950
0.8069 Intermediate Similarity NPC477072
0.8067 Intermediate Similarity NPC284625
0.8067 Intermediate Similarity NPC69176
0.8028 Intermediate Similarity NPC470516
0.7808 Intermediate Similarity NPC476776
0.7808 Intermediate Similarity NPC312650
0.7808 Intermediate Similarity NPC478154
0.7808 Intermediate Similarity NPC139585
0.7801 Intermediate Similarity NPC275225
0.7801 Intermediate Similarity NPC51099
0.7801 Intermediate Similarity NPC293031
0.7801 Intermediate Similarity NPC68767
0.7793 Intermediate Similarity NPC47995
0.7793 Intermediate Similarity NPC265841
0.7786 Intermediate Similarity NPC207738
0.7778 Intermediate Similarity NPC204556
0.777 Intermediate Similarity NPC110700
0.777 Intermediate Similarity NPC279915
0.7755 Intermediate Similarity NPC478151
0.7755 Intermediate Similarity NPC225791
0.7755 Intermediate Similarity NPC476779
0.774 Intermediate Similarity NPC478155
0.774 Intermediate Similarity NPC25998
0.774 Intermediate Similarity NPC476774
0.774 Intermediate Similarity NPC476780
0.774 Intermediate Similarity NPC271610
0.774 Intermediate Similarity NPC476775
0.773 Intermediate Similarity NPC144644
0.773 Intermediate Similarity NPC268184
0.773 Intermediate Similarity NPC110385
0.773 Intermediate Similarity NPC142151
0.773 Intermediate Similarity NPC473130
0.773 Intermediate Similarity NPC267694
0.773 Intermediate Similarity NPC153673
0.773 Intermediate Similarity NPC37860
0.773 Intermediate Similarity NPC473645
0.773 Intermediate Similarity NPC476127
0.773 Intermediate Similarity NPC476150
0.7724 Intermediate Similarity NPC470476
0.7724 Intermediate Similarity NPC470475
0.7714 Intermediate Similarity NPC105800
0.7714 Intermediate Similarity NPC232237
0.7703 Intermediate Similarity NPC476777
0.7703 Intermediate Similarity NPC476778
0.7687 Intermediate Similarity NPC478152
0.7687 Intermediate Similarity NPC46823
0.7687 Intermediate Similarity NPC473918
0.7687 Intermediate Similarity NPC277212
0.7687 Intermediate Similarity NPC478153
0.7687 Intermediate Similarity NPC178264
0.7687 Intermediate Similarity NPC192765
0.7687 Intermediate Similarity NPC71391
0.7687 Intermediate Similarity NPC478150
0.7687 Intermediate Similarity NPC30279
0.7671 Intermediate Similarity NPC269484
0.7671 Intermediate Similarity NPC280029
0.7671 Intermediate Similarity NPC252289
0.7671 Intermediate Similarity NPC244296
0.7671 Intermediate Similarity NPC472267
0.7671 Intermediate Similarity NPC97918
0.7671 Intermediate Similarity NPC141600
0.7671 Intermediate Similarity NPC9470
0.7671 Intermediate Similarity NPC477196
0.7671 Intermediate Similarity NPC305793
0.7671 Intermediate Similarity NPC11577
0.7671 Intermediate Similarity NPC115656
0.7671 Intermediate Similarity NPC88311
0.7671 Intermediate Similarity NPC82380
0.7671 Intermediate Similarity NPC1314
0.7671 Intermediate Similarity NPC470518
0.7671 Intermediate Similarity NPC273878
0.7671 Intermediate Similarity NPC107536
0.7671 Intermediate Similarity NPC252657
0.766 Intermediate Similarity NPC470915
0.766 Intermediate Similarity NPC477464
0.766 Intermediate Similarity NPC470517
0.766 Intermediate Similarity NPC471577
0.766 Intermediate Similarity NPC470911
0.7643 Intermediate Similarity NPC8524
0.7643 Intermediate Similarity NPC475209
0.7643 Intermediate Similarity NPC85154
0.7643 Intermediate Similarity NPC286457
0.7643 Intermediate Similarity NPC69811
0.7643 Intermediate Similarity NPC104137
0.7643 Intermediate Similarity NPC123522
0.7643 Intermediate Similarity NPC309223
0.7643 Intermediate Similarity NPC191827
0.7643 Intermediate Similarity NPC102505
0.7643 Intermediate Similarity NPC473824
0.7643 Intermediate Similarity NPC220160
0.7643 Intermediate Similarity NPC33012
0.7643 Intermediate Similarity NPC470876
0.7643 Intermediate Similarity NPC475514
0.7643 Intermediate Similarity NPC475119
0.7643 Intermediate Similarity NPC473452
0.7635 Intermediate Similarity NPC316915
0.7619 Intermediate Similarity NPC262796
0.7619 Intermediate Similarity NPC173435
0.7619 Intermediate Similarity NPC329993
0.7619 Intermediate Similarity NPC477197
0.7619 Intermediate Similarity NPC475377
0.7619 Intermediate Similarity NPC475167
0.7619 Intermediate Similarity NPC478064
0.7619 Intermediate Similarity NPC172374
0.7619 Intermediate Similarity NPC264566
0.7619 Intermediate Similarity NPC478065
0.7619 Intermediate Similarity NPC134914
0.7619 Intermediate Similarity NPC45346
0.7619 Intermediate Similarity NPC476074
0.7619 Intermediate Similarity NPC301639
0.7606 Intermediate Similarity NPC476991
0.7603 Intermediate Similarity NPC477192
0.7603 Intermediate Similarity NPC477191
0.7603 Intermediate Similarity NPC477194
0.7603 Intermediate Similarity NPC477193
0.7589 Intermediate Similarity NPC36831
0.7589 Intermediate Similarity NPC237191
0.7589 Intermediate Similarity NPC471548
0.7589 Intermediate Similarity NPC475899
0.7589 Intermediate Similarity NPC470515
0.7586 Intermediate Similarity NPC470218
0.7571 Intermediate Similarity NPC291903
0.7571 Intermediate Similarity NPC37134
0.7571 Intermediate Similarity NPC305267
0.7571 Intermediate Similarity NPC288205
0.7571 Intermediate Similarity NPC75287
0.7571 Intermediate Similarity NPC476992
0.7571 Intermediate Similarity NPC51465
0.7571 Intermediate Similarity NPC26626
0.7568 Intermediate Similarity NPC477195
0.7568 Intermediate Similarity NPC231240
0.7552 Intermediate Similarity NPC477463
0.7552 Intermediate Similarity NPC476204
0.7552 Intermediate Similarity NPC170084
0.7551 Intermediate Similarity NPC477076
0.7551 Intermediate Similarity NPC470913
0.7551 Intermediate Similarity NPC477235
0.7551 Intermediate Similarity NPC477079

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC174336 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
0.7329 Intermediate Similarity NPD8328 Phase 3
0.731 Intermediate Similarity NPD8515 Approved
0.731 Intermediate Similarity NPD8516 Approved
0.731 Intermediate Similarity NPD8517 Approved
0.7192 Intermediate Similarity NPD8513 Phase 3
0.7181 Intermediate Similarity NPD8074 Phase 3
0.7063 Intermediate Similarity NPD8133 Approved
0.7039 Intermediate Similarity NPD8390 Approved
0.7039 Intermediate Similarity NPD8391 Approved
0.7039 Intermediate Similarity NPD8392 Approved
0.7019 Intermediate Similarity NPD7625 Phase 1
0.7007 Intermediate Similarity NPD8294 Approved
0.7007 Intermediate Similarity NPD8377 Approved
0.6974 Remote Similarity NPD7319 Approved
0.6959 Remote Similarity NPD8379 Approved
0.6959 Remote Similarity NPD8296 Approved
0.6959 Remote Similarity NPD8378 Approved
0.6959 Remote Similarity NPD8380 Approved
0.6959 Remote Similarity NPD8335 Approved
0.6954 Remote Similarity NPD8448 Approved
0.695 Remote Similarity NPD6686 Approved
0.6918 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6887 Remote Similarity NPD7507 Approved
0.6887 Remote Similarity NPD8451 Approved
0.6846 Remote Similarity NPD8033 Approved
0.6821 Remote Similarity NPD8342 Approved
0.6821 Remote Similarity NPD8340 Approved
0.6821 Remote Similarity NPD8299 Approved
0.6821 Remote Similarity NPD8341 Approved
0.6818 Remote Similarity NPD6914 Discontinued
0.6806 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6797 Remote Similarity NPD7736 Approved
0.6755 Remote Similarity NPD7830 Approved
0.6755 Remote Similarity NPD7829 Approved
0.6733 Remote Similarity NPD7503 Approved
0.673 Remote Similarity NPD6334 Approved
0.673 Remote Similarity NPD6333 Approved
0.6689 Remote Similarity NPD7115 Discovery
0.6688 Remote Similarity NPD8336 Approved
0.6688 Remote Similarity NPD8337 Approved
0.6667 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6648 Remote Similarity NPD8470 Clinical (unspecified phase)
0.6645 Remote Similarity NPD7642 Approved
0.6644 Remote Similarity NPD7327 Approved
0.6644 Remote Similarity NPD7328 Approved
0.6624 Remote Similarity NPD8338 Approved
0.6612 Remote Similarity NPD8407 Phase 2
0.6604 Remote Similarity NPD8387 Clinical (unspecified phase)
0.66 Remote Similarity NPD7516 Approved
0.6582 Remote Similarity NPD8450 Suspended
0.6541 Remote Similarity NPD8415 Approved
0.6519 Remote Similarity NPD8449 Approved
0.6513 Remote Similarity NPD6921 Approved
0.651 Remote Similarity NPD8486 Clinical (unspecified phase)
0.6471 Remote Similarity NPD8361 Approved
0.6471 Remote Similarity NPD8360 Approved
0.6471 Remote Similarity NPD6370 Approved
0.6448 Remote Similarity NPD8368 Discontinued
0.6414 Remote Similarity NPD6412 Phase 2
0.641 Remote Similarity NPD8293 Discontinued
0.6405 Remote Similarity NPD8444 Approved
0.6395 Remote Similarity NPD6421 Discontinued
0.6387 Remote Similarity NPD7492 Approved
0.6383 Remote Similarity NPD8435 Approved
0.6383 Remote Similarity NPD4225 Approved
0.6369 Remote Similarity NPD7274 Clinical (unspecified phase)
0.6364 Remote Similarity NPD8080 Discontinued
0.6358 Remote Similarity NPD8137 Clinical (unspecified phase)
0.6354 Remote Similarity NPD8485 Approved
0.6346 Remote Similarity NPD6616 Approved
0.634 Remote Similarity NPD6054 Approved
0.6316 Remote Similarity NPD7641 Discontinued
0.6306 Remote Similarity NPD7078 Approved
0.6294 Remote Similarity NPD8319 Approved
0.6294 Remote Similarity NPD8320 Phase 1
0.6277 Remote Similarity NPD8424 Clinical (unspecified phase)
0.6234 Remote Similarity NPD6319 Approved
0.6224 Remote Similarity NPD7639 Approved
0.6224 Remote Similarity NPD7640 Approved
0.6216 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6197 Remote Similarity NPD7902 Approved
0.6194 Remote Similarity NPD8274 Clinical (unspecified phase)
0.6194 Remote Similarity NPD6016 Approved
0.6194 Remote Similarity NPD6015 Approved
0.6174 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6154 Remote Similarity NPD5988 Approved
0.6154 Remote Similarity NPD7638 Approved
0.6149 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6149 Remote Similarity NPD8174 Phase 2
0.6149 Remote Similarity NPD7260 Phase 2
0.6129 Remote Similarity NPD6059 Approved
0.6099 Remote Similarity NPD7748 Approved
0.6093 Remote Similarity NPD6882 Approved
0.6093 Remote Similarity NPD6429 Approved
0.6093 Remote Similarity NPD6430 Approved
0.6093 Remote Similarity NPD8297 Approved
0.609 Remote Similarity NPD8269 Approved
0.609 Remote Similarity NPD8266 Approved
0.609 Remote Similarity NPD8267 Approved
0.609 Remote Similarity NPD8268 Approved
0.6081 Remote Similarity NPD8307 Discontinued
0.6069 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6059 Remote Similarity NPD7874 Approved
0.6059 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6042 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6041 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6039 Remote Similarity NPD6009 Approved
0.6039 Remote Similarity NPD8404 Phase 2
0.6039 Remote Similarity NPD7500 Approved
0.6038 Remote Similarity NPD8273 Phase 1
0.6029 Remote Similarity NPD7783 Phase 2
0.6029 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6029 Remote Similarity NPD7801 Approved
0.6027 Remote Similarity NPD7140 Approved
0.6027 Remote Similarity NPD7141 Clinical (unspecified phase)
0.6027 Remote Similarity NPD7139 Approved
0.6014 Remote Similarity NPD8393 Approved
0.6013 Remote Similarity NPD7604 Phase 2
0.6012 Remote Similarity NPD6845 Suspended
0.6012 Remote Similarity NPD8384 Approved
0.599 Remote Similarity NPD7700 Phase 2
0.599 Remote Similarity NPD7699 Phase 2
0.5987 Remote Similarity NPD6909 Approved
0.5987 Remote Similarity NPD6908 Approved
0.5986 Remote Similarity NPD8275 Approved
0.5986 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5986 Remote Similarity NPD7900 Approved
0.5986 Remote Similarity NPD1407 Approved
0.5986 Remote Similarity NPD8276 Approved
0.5974 Remote Similarity NPD6940 Discontinued
0.5973 Remote Similarity NPD8140 Approved
0.5973 Remote Similarity NPD5954 Clinical (unspecified phase)
0.596 Remote Similarity NPD8087 Discontinued
0.5957 Remote Similarity NPD7515 Phase 2
0.5948 Remote Similarity NPD4632 Approved
0.5931 Remote Similarity NPD8151 Discontinued
0.5924 Remote Similarity NPD8346 Approved
0.5924 Remote Similarity NPD8347 Approved
0.5924 Remote Similarity NPD8345 Approved
0.5921 Remote Similarity NPD6649 Approved
0.5921 Remote Similarity NPD6650 Approved
0.5918 Remote Similarity NPD8085 Approved
0.5918 Remote Similarity NPD8082 Approved
0.5918 Remote Similarity NPD8084 Approved
0.5918 Remote Similarity NPD8083 Approved
0.5918 Remote Similarity NPD8139 Approved
0.5918 Remote Similarity NPD8138 Approved
0.5918 Remote Similarity NPD8086 Approved
0.5894 Remote Similarity NPD8306 Approved
0.5894 Remote Similarity NPD8305 Approved
0.589 Remote Similarity NPD8418 Phase 2
0.5887 Remote Similarity NPD8522 Clinical (unspecified phase)
0.5882 Remote Similarity NPD7701 Phase 2
0.5882 Remote Similarity NPD7799 Discontinued
0.5871 Remote Similarity NPD6823 Phase 2
0.5867 Remote Similarity NPD7899 Clinical (unspecified phase)
0.5855 Remote Similarity NPD6371 Approved
0.5843 Remote Similarity NPD8414 Discontinued
0.5842 Remote Similarity NPD7696 Phase 3
0.5842 Remote Similarity NPD7697 Approved
0.5842 Remote Similarity NPD7698 Approved
0.5839 Remote Similarity NPD8170 Clinical (unspecified phase)
0.5839 Remote Similarity NPD8081 Approved
0.5838 Remote Similarity NPD6534 Approved
0.5838 Remote Similarity NPD6535 Approved
0.5828 Remote Similarity NPD6899 Approved
0.5828 Remote Similarity NPD6881 Approved
0.5817 Remote Similarity NPD8130 Phase 1
0.5813 Remote Similarity NPD6067 Discontinued
0.5811 Remote Similarity NPD7632 Discontinued
0.5789 Remote Similarity NPD6372 Approved
0.5789 Remote Similarity NPD6373 Approved
0.5789 Remote Similarity NPD6941 Approved
0.5774 Remote Similarity NPD7966 Clinical (unspecified phase)
0.5769 Remote Similarity NPD8462 Phase 1
0.5767 Remote Similarity NPD6033 Approved
0.5762 Remote Similarity NPD5697 Approved
0.5752 Remote Similarity NPD7102 Approved
0.5752 Remote Similarity NPD4634 Approved
0.5752 Remote Similarity NPD6420 Discontinued
0.5752 Remote Similarity NPD6883 Approved
0.5752 Remote Similarity NPD7290 Approved
0.5743 Remote Similarity NPD5344 Discontinued
0.5735 Remote Similarity NPD7870 Phase 2
0.5735 Remote Similarity NPD7871 Phase 2
0.5714 Remote Similarity NPD6869 Approved
0.5714 Remote Similarity NPD6847 Approved
0.5714 Remote Similarity NPD7116 Clinical (unspecified phase)
0.5714 Remote Similarity NPD6617 Approved
0.5695 Remote Similarity NPD7128 Approved
0.5695 Remote Similarity NPD5739 Approved
0.5695 Remote Similarity NPD4211 Phase 1
0.5695 Remote Similarity NPD6402 Approved
0.5695 Remote Similarity NPD6675 Approved
0.5694 Remote Similarity NPD5781 Clinical (unspecified phase)
0.5693 Remote Similarity NPD6776 Approved
0.5693 Remote Similarity NPD6779 Approved
0.5693 Remote Similarity NPD6778 Approved
0.5693 Remote Similarity NPD6781 Approved
0.5693 Remote Similarity NPD6777 Approved

Structure

External Identifiers

PubChem CID   44566777
ChEMBL   CHEMBL508651
ZINC  

Physicochemical Properties

Molecular Weight:  2081.98
ALogP:  -8.1398
MLogP:  7.07
XLogP:  -1.241
# Rotatable Bonds:  76
Polar Surface Area:  735.46
# H-Bond Aceptor:  47
# H-Bond Donor:  25
# Rings:  13
# Heavy Atoms:  145

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