Natural Product: NPC471884

Natural Product ID:  NPC471884
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C32H40O8
Standard InCHIKey:  SZQWAXGDCUONOB-QKARTHDOSA-N
Standard InCHI:  InChI=1S/C32H40O8/c1-15-7-8-19-21(15)24-22(20(38-17(3)33)13-29(19,5)36)32(27(35)40-24)14-31-12-11-28(32,4)25(31)23-18(9-10-30(31,6)37)16(2)26(34)39-23/h7,11-12,18-25,36-37H,2,8-10,13-14H2,1,3-6H3/t18-,19+,20-,21-,22+,23-,24+,25-,28+,29+,30+,31-,32-/m0/s1
Canonical SMILES:  CC(=O)O[C@H]1C[C@@](C)(O)[C@H]2[C@@H]([C@@H]3[C@@H]1[C@@]1(C[C@]45[C@H]([C@@]1(C)C=C4)[C@H]1OC(=O)C(=C)[C@@H]1CC[C@@]5(C)O)C(=O)O3)C(=CC2)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
NPO28224 Chrysanthemum boreale Species Asteraceae Eukaryota PMID[24689881]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified FC = 1.91 7650675
NPT32 Organism Mus musculus Mus musculus Inhibition = 56 % 22262495
NPT32 Organism Mus musculus Mus musculus Inhibition = 43 % 22290833
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 22 % 22290833
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 35 % 22290833
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 14300 nM 22290833
NPT113 Cell Line RAW264.7 Mus musculus Survival > 80 % 22290833
NPT113 Cell Line RAW264.7 Mus musculus FC = 0.65 Open TG-GATES in vivo data: Biochemistry
NPT113 Cell Line RAW264.7 Mus musculus FC = 0.58 Open TG-GATES in vivo data: Hematology
NPT113 Cell Line RAW264.7 Mus musculus Inhibition > 84 % 15921426
NPT113 Cell Line RAW264.7 Mus musculus Activity = 83 % 15921426
NPT3087 Individual Protein Transcription factor p65 Mus musculus FC = 0.49 12027757
NPT113 Cell Line RAW264.7 Mus musculus FC = 0.1 10.6019/CHEMBL1201861
NPT113 Cell Line RAW264.7 Mus musculus FC = 0.76 10.6019/CHEMBL1201861
NPT113 Cell Line RAW264.7 Mus musculus Inhibition = 98 % 17178800
NPT113 Cell Line RAW264.7 Mus musculus FC = 0.61 19581457
NPT113 Cell Line RAW264.7 Mus musculus FC = 0.66 19581457
NPT2 Others Unspecified FC = 0.55 12088420
NPT6423 Protein Family JNK1/JNK2 Mus musculus FC = 0.24 12088420
NPT113 Cell Line RAW264.7 Mus musculus FC = 0.15 12088420
NPT113 Cell Line RAW264.7 Mus musculus FC = 0.13 8133294
NPT113 Cell Line RAW264.7 Mus musculus FC = 0.58 8133294
NPT113 Cell Line RAW264.7 Mus musculus FC = 0.74 8133294
NPT113 Cell Line RAW264.7 Mus musculus FC = 0.9 8133294
NPT3087 Individual Protein Transcription factor p65 Mus musculus FC = 0.63 8133294
NPT113 Cell Line RAW264.7 Mus musculus FC = 0.22 11325227
NPT113 Cell Line RAW264.7 Mus musculus FC = 0.2 26214125
NPT6479 Individual Protein Nuclear factor NF-kappa-B p105 subunit Mus musculus FC = 0.21 26214125
NPT113 Cell Line RAW264.7 Mus musculus FC = 0.52 26214125
NPT6479 Individual Protein Nuclear factor NF-kappa-B p105 subunit Mus musculus FC = 0.16 26214125
NPT113 Cell Line RAW264.7 Mus musculus FC = 0.63 26214125
NPT6423 Protein Family JNK1/JNK2 Mus musculus FC = 0.54 26214125
NPT113 Cell Line RAW264.7 Mus musculus FC = 0.79 19245244
NPT1035 Protein Family Mitogen-activated protein kinase 1 and 3 (ERK2 and ERK1) Mus musculus FC = 0.79 20853876
NPT2 Others Unspecified FC = 0.44 20853876
NPT113 Cell Line RAW264.7 Mus musculus FC = 0.29 19015354
NPT113 Cell Line RAW264.7 Mus musculus FC = 0.73 10780915
NPT113 Cell Line RAW264.7 Mus musculus FC = 0.67 10780915
NPT113 Cell Line RAW264.7 Mus musculus FC = 0.21 10780915
NPT1035 Protein Family Mitogen-activated protein kinase 1 and 3 (ERK2 and ERK1) Mus musculus FC = 0.21 19256529
NPT113 Cell Line RAW264.7 Mus musculus FC = 0.56 19256529
NPT113 Cell Line RAW264.7 Mus musculus FC = 0.66 20855742
NPT113 Cell Line RAW264.7 Mus musculus FC = 0.26 20855742
NPT6423 Protein Family JNK1/JNK2 Mus musculus FC = 0.71 18725452
NPT1035 Protein Family Mitogen-activated protein kinase 1 and 3 (ERK2 and ERK1) Mus musculus FC = 0.76 18725452
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 6700 nM 22546674
NPT2 Others Unspecified FC = 1.83 22546674
NPT2 Others Unspecified FC = 1.85 11421737

  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 NPC471884 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
0.9524 High Similarity NPC209058
0.8909 High Similarity NPC36754
0.8899 High Similarity NPC471382
0.8857 High Similarity NPC475217
0.8829 High Similarity NPC161060
0.8559 High Similarity NPC471380
0.8505 High Similarity NPC252234
0.8416 Intermediate Similarity NPC133698
0.8252 Intermediate Similarity NPC198853
0.8252 Intermediate Similarity NPC477131
0.8235 Intermediate Similarity NPC131209
0.823 Intermediate Similarity NPC123117
0.8108 Intermediate Similarity NPC475588
0.8077 Intermediate Similarity NPC470013
0.8077 Intermediate Similarity NPC470010
0.8077 Intermediate Similarity NPC323008
0.8077 Intermediate Similarity NPC262133
0.8056 Intermediate Similarity NPC86077
0.8053 Intermediate Similarity NPC23967
0.8051 Intermediate Similarity NPC192309
0.8036 Intermediate Similarity NPC474923
0.8036 Intermediate Similarity NPC48305
0.8 Intermediate Similarity NPC67584
0.8 Intermediate Similarity NPC223450
0.8 Intermediate Similarity NPC304886
0.7983 Intermediate Similarity NPC42747
0.7983 Intermediate Similarity NPC1538
0.7981 Intermediate Similarity NPC135776
0.7941 Intermediate Similarity NPC178875
0.7941 Intermediate Similarity NPC91248
0.7925 Intermediate Similarity NPC213078
0.7917 Intermediate Similarity NPC144625
0.7909 Intermediate Similarity NPC203659
0.789 Intermediate Similarity NPC225353
0.785 Intermediate Similarity NPC213947
0.785 Intermediate Similarity NPC169205
0.785 Intermediate Similarity NPC161493
0.785 Intermediate Similarity NPC170143
0.785 Intermediate Similarity NPC108475
0.7843 Intermediate Similarity NPC118601
0.7838 Intermediate Similarity NPC243998
0.783 Intermediate Similarity NPC275960
0.783 Intermediate Similarity NPC52044
0.783 Intermediate Similarity NPC193645
0.783 Intermediate Similarity NPC90121
0.783 Intermediate Similarity NPC163228
0.783 Intermediate Similarity NPC48803
0.7818 Intermediate Similarity NPC110989
0.781 Intermediate Similarity NPC308656
0.781 Intermediate Similarity NPC473273
0.781 Intermediate Similarity NPC473234
0.781 Intermediate Similarity NPC153590
0.781 Intermediate Similarity NPC476300
0.781 Intermediate Similarity NPC60386
0.781 Intermediate Similarity NPC473263
0.7805 Intermediate Similarity NPC13071
0.7798 Intermediate Similarity NPC171759
0.7788 Intermediate Similarity NPC54065
0.7788 Intermediate Similarity NPC297474
0.7778 Intermediate Similarity NPC141191
0.7778 Intermediate Similarity NPC475323
0.7768 Intermediate Similarity NPC26617
0.7767 Intermediate Similarity NPC79549
0.7757 Intermediate Similarity NPC142529
0.7757 Intermediate Similarity NPC18019
0.7757 Intermediate Similarity NPC185553
0.7757 Intermediate Similarity NPC24956
0.7757 Intermediate Similarity NPC91771
0.7736 Intermediate Similarity NPC127019
0.7724 Intermediate Similarity NPC172823
0.7719 Intermediate Similarity NPC477103
0.7714 Intermediate Similarity NPC208886
0.7714 Intermediate Similarity NPC184463
0.7714 Intermediate Similarity NPC63193
0.7714 Intermediate Similarity NPC29821
0.7714 Intermediate Similarity NPC57304
0.7714 Intermediate Similarity NPC293001
0.7714 Intermediate Similarity NPC74103
0.7714 Intermediate Similarity NPC70595
0.7714 Intermediate Similarity NPC123177
0.7714 Intermediate Similarity NPC150978
0.7714 Intermediate Similarity NPC171360
0.7714 Intermediate Similarity NPC12172
0.7714 Intermediate Similarity NPC133888
0.7714 Intermediate Similarity NPC35959
0.7706 Intermediate Similarity NPC280963
0.7692 Intermediate Similarity NPC155935
0.7692 Intermediate Similarity NPC283409
0.7692 Intermediate Similarity NPC215556
0.7692 Intermediate Similarity NPC4986
0.7692 Intermediate Similarity NPC32922
0.7692 Intermediate Similarity NPC307411
0.7686 Intermediate Similarity NPC129992
0.7679 Intermediate Similarity NPC291643
0.7664 Intermediate Similarity NPC213698
0.7664 Intermediate Similarity NPC36954
0.7664 Intermediate Similarity NPC476053
0.7652 Intermediate Similarity NPC287311
0.7642 Intermediate Similarity NPC81419
0.7642 Intermediate Similarity NPC179746
0.7642 Intermediate Similarity NPC11732
0.7632 Intermediate Similarity NPC477102
0.7627 Intermediate Similarity NPC475238
0.7627 Intermediate Similarity NPC471146
0.7627 Intermediate Similarity NPC473656
0.7619 Intermediate Similarity NPC51004
0.7619 Intermediate Similarity NPC37607
0.7619 Intermediate Similarity NPC35809
0.7619 Intermediate Similarity NPC253144
0.7619 Intermediate Similarity NPC301969
0.7619 Intermediate Similarity NPC216284
0.7619 Intermediate Similarity NPC224623
0.7615 Intermediate Similarity NPC221615
0.7596 Intermediate Similarity NPC202672
0.7596 Intermediate Similarity NPC207114
0.7596 Intermediate Similarity NPC471149
0.7596 Intermediate Similarity NPC217983
0.7593 Intermediate Similarity NPC476315
0.7586 Intermediate Similarity NPC95290
0.7586 Intermediate Similarity NPC189338
0.7573 Intermediate Similarity NPC236692
0.7573 Intermediate Similarity NPC67493
0.7573 Intermediate Similarity NPC309757
0.757 Intermediate Similarity NPC90453
0.757 Intermediate Similarity NPC289004
0.757 Intermediate Similarity NPC167219
0.7568 Intermediate Similarity NPC471757
0.7568 Intermediate Similarity NPC474747
0.7568 Intermediate Similarity NPC78127
0.7563 Intermediate Similarity NPC475372
0.7547 Intermediate Similarity NPC286341
0.7547 Intermediate Similarity NPC155215
0.7547 Intermediate Similarity NPC191339
0.7547 Intermediate Similarity NPC221282
0.7547 Intermediate Similarity NPC290651
0.7547 Intermediate Similarity NPC184063
0.7547 Intermediate Similarity NPC475925
0.7547 Intermediate Similarity NPC30515
0.7547 Intermediate Similarity NPC284185
0.7545 Intermediate Similarity NPC186861
0.7542 Intermediate Similarity NPC277583
0.7541 Intermediate Similarity NPC186339
0.7524 Intermediate Similarity NPC12872
0.7524 Intermediate Similarity NPC168679
0.7524 Intermediate Similarity NPC92974
0.7523 Intermediate Similarity NPC471150
0.7522 Intermediate Similarity NPC166115
0.7522 Intermediate Similarity NPC54737
0.75 Intermediate Similarity NPC474775
0.75 Intermediate Similarity NPC472873
0.75 Intermediate Similarity NPC190753
0.75 Intermediate Similarity NPC312536
0.75 Intermediate Similarity NPC170120
0.75 Intermediate Similarity NPC24728
0.75 Intermediate Similarity NPC475871
0.75 Intermediate Similarity NPC475945
0.7479 Intermediate Similarity NPC471145
0.7478 Intermediate Similarity NPC59489
0.7478 Intermediate Similarity NPC139838
0.7478 Intermediate Similarity NPC273433
0.7477 Intermediate Similarity NPC212486
0.7477 Intermediate Similarity NPC477950
0.7477 Intermediate Similarity NPC258216
0.7477 Intermediate Similarity NPC475912
0.7477 Intermediate Similarity NPC474742
0.7477 Intermediate Similarity NPC200237
0.7477 Intermediate Similarity NPC150923
0.7476 Intermediate Similarity NPC235792
0.7476 Intermediate Similarity NPC161957
0.7476 Intermediate Similarity NPC300082
0.7476 Intermediate Similarity NPC284534
0.7476 Intermediate Similarity NPC204105
0.746 Intermediate Similarity NPC469351
0.7458 Intermediate Similarity NPC67290
0.7458 Intermediate Similarity NPC138303
0.7458 Intermediate Similarity NPC133677
0.7456 Intermediate Similarity NPC470192
0.7455 Intermediate Similarity NPC470188
0.7453 Intermediate Similarity NPC475748
0.7453 Intermediate Similarity NPC19087
0.7453 Intermediate Similarity NPC62815
0.7451 Intermediate Similarity NPC54468
0.7438 Intermediate Similarity NPC143755
0.7438 Intermediate Similarity NPC163693
0.7438 Intermediate Similarity NPC147635
0.7436 Intermediate Similarity NPC123855
0.7436 Intermediate Similarity NPC258711
0.7436 Intermediate Similarity NPC76550
0.7436 Intermediate Similarity NPC35069
0.7434 Intermediate Similarity NPC474741
0.7434 Intermediate Similarity NPC309190
0.7434 Intermediate Similarity NPC100487
0.7431 Intermediate Similarity NPC126156
0.7429 Intermediate Similarity NPC58219
0.7429 Intermediate Similarity NPC177629
0.7417 Intermediate Similarity NPC288679
0.7414 Intermediate Similarity NPC257240
0.7411 Intermediate Similarity NPC475320
0.7411 Intermediate Similarity NPC66110
0.7411 Intermediate Similarity NPC105725

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC471884 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
0.783 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7768 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD1695 Approved
0.7414 Intermediate Similarity NPD6371 Approved
0.7 Intermediate Similarity NPD6053 Discontinued
0.6937 Remote Similarity NPD5282 Discontinued
0.6822 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6818 Remote Similarity NPD5785 Approved
0.6792 Remote Similarity NPD5362 Discontinued
0.6757 Remote Similarity NPD7983 Approved
0.6698 Remote Similarity NPD6435 Approved
0.6697 Remote Similarity NPD4251 Approved
0.6697 Remote Similarity NPD4250 Approved
0.6667 Remote Similarity NPD6698 Approved
0.6667 Remote Similarity NPD46 Approved
0.6667 Remote Similarity NPD7838 Discovery
0.6639 Remote Similarity NPD6008 Approved
0.6639 Remote Similarity NPD6649 Approved
0.6639 Remote Similarity NPD6650 Approved
0.6606 Remote Similarity NPD4249 Approved
0.6585 Remote Similarity NPD8297 Approved
0.6549 Remote Similarity NPD6399 Phase 3
0.6529 Remote Similarity NPD6899 Approved
0.6529 Remote Similarity NPD6881 Approved
0.6529 Remote Similarity NPD6686 Approved
0.6514 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6509 Remote Similarity NPD5368 Approved
0.6504 Remote Similarity NPD8130 Phase 1
0.6504 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6489 Remote Similarity NPD7507 Approved
0.6481 Remote Similarity NPD7154 Phase 3
0.6476 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6475 Remote Similarity NPD6372 Approved
0.6475 Remote Similarity NPD6373 Approved
0.6455 Remote Similarity NPD5786 Approved
0.6452 Remote Similarity NPD6882 Approved
0.6449 Remote Similarity NPD5369 Approved
0.6446 Remote Similarity NPD5697 Approved
0.6439 Remote Similarity NPD7078 Approved
0.6423 Remote Similarity NPD6883 Approved
0.6423 Remote Similarity NPD7290 Approved
0.6423 Remote Similarity NPD7102 Approved
0.6412 Remote Similarity NPD7492 Approved
0.641 Remote Similarity NPD7638 Approved
0.641 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6404 Remote Similarity NPD5778 Approved
0.6404 Remote Similarity NPD5779 Approved
0.6393 Remote Similarity NPD7320 Approved
0.6391 Remote Similarity NPD7736 Approved
0.6378 Remote Similarity NPD7115 Discovery
0.6371 Remote Similarity NPD6617 Approved
0.6371 Remote Similarity NPD6869 Approved
0.6371 Remote Similarity NPD6847 Approved
0.6364 Remote Similarity NPD6675 Approved
0.6364 Remote Similarity NPD5363 Approved
0.6364 Remote Similarity NPD6616 Approved
0.6364 Remote Similarity NPD7128 Approved
0.6364 Remote Similarity NPD6402 Approved
0.6364 Remote Similarity NPD5739 Approved
0.6357 Remote Similarity NPD6319 Approved
0.6357 Remote Similarity NPD6054 Approved
0.6356 Remote Similarity NPD7639 Approved
0.6356 Remote Similarity NPD7640 Approved
0.6355 Remote Similarity NPD4820 Approved
0.6355 Remote Similarity NPD4822 Approved
0.6355 Remote Similarity NPD4819 Approved
0.6355 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6355 Remote Similarity NPD4821 Approved
0.6343 Remote Similarity NPD7319 Approved
0.6341 Remote Similarity NPD6013 Approved
0.6341 Remote Similarity NPD6014 Approved
0.6341 Remote Similarity NPD6012 Approved
0.6316 Remote Similarity NPD6411 Approved
0.6316 Remote Similarity NPD7637 Suspended
0.6308 Remote Similarity NPD8517 Approved
0.6308 Remote Similarity NPD8515 Approved
0.6308 Remote Similarity NPD8513 Phase 3
0.6308 Remote Similarity NPD8516 Approved
0.6296 Remote Similarity NPD4790 Discontinued
0.627 Remote Similarity NPD4632 Approved
0.626 Remote Similarity NPD6011 Approved
0.626 Remote Similarity NPD6370 Approved
0.625 Remote Similarity NPD7260 Phase 2
0.6239 Remote Similarity NPD4270 Approved
0.6239 Remote Similarity NPD4269 Approved
0.6239 Remote Similarity NPD7839 Suspended
0.6216 Remote Similarity NPD1694 Approved
0.6194 Remote Similarity NPD8293 Discontinued
0.6186 Remote Similarity NPD6083 Phase 2
0.6186 Remote Similarity NPD6084 Phase 2
0.6183 Remote Similarity NPD6015 Approved
0.6183 Remote Similarity NPD6016 Approved
0.6182 Remote Similarity NPD5332 Approved
0.6182 Remote Similarity NPD5331 Approved
0.6179 Remote Similarity NPD5701 Approved
0.6168 Remote Similarity NPD4271 Approved
0.6168 Remote Similarity NPD4268 Approved
0.6154 Remote Similarity NPD5695 Phase 3
0.614 Remote Similarity NPD5764 Clinical (unspecified phase)
0.614 Remote Similarity NPD6101 Approved
0.6136 Remote Similarity NPD5988 Approved
0.6134 Remote Similarity NPD5696 Approved
0.6134 Remote Similarity NPD4225 Approved
0.6126 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6124 Remote Similarity NPD6009 Approved
0.6116 Remote Similarity NPD5211 Phase 2
0.6107 Remote Similarity NPD6059 Approved
0.6091 Remote Similarity NPD4752 Clinical (unspecified phase)
0.609 Remote Similarity NPD7604 Phase 2
0.6087 Remote Similarity NPD6845 Suspended
0.6083 Remote Similarity NPD5285 Approved
0.6083 Remote Similarity NPD5286 Approved
0.6083 Remote Similarity NPD4696 Approved
0.6074 Remote Similarity NPD8074 Phase 3
0.6061 Remote Similarity NPD8033 Approved
0.6061 Remote Similarity NPD5983 Phase 2
0.6061 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6055 Remote Similarity NPD4252 Approved
0.6036 Remote Similarity NPD6695 Phase 3
0.6034 Remote Similarity NPD6079 Approved
0.6034 Remote Similarity NPD8035 Phase 2
0.6034 Remote Similarity NPD5284 Approved
0.6034 Remote Similarity NPD8034 Phase 2
0.6034 Remote Similarity NPD5281 Approved
0.6033 Remote Similarity NPD5344 Discontinued
0.6032 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6031 Remote Similarity NPD7101 Approved
0.6031 Remote Similarity NPD7100 Approved
0.6017 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6016 Remote Similarity NPD4057 Clinical (unspecified phase)
0.6016 Remote Similarity NPD5141 Approved
0.6016 Remote Similarity NPD8133 Approved
0.6016 Remote Similarity NPD4056 Clinical (unspecified phase)
0.6 Remote Similarity NPD6336 Discontinued
0.6 Remote Similarity NPD5345 Clinical (unspecified phase)
0.5985 Remote Similarity NPD8377 Approved
0.5985 Remote Similarity NPD8294 Approved
0.5984 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5984 Remote Similarity NPD4633 Approved
0.5984 Remote Similarity NPD5224 Approved
0.5984 Remote Similarity NPD5225 Approved
0.5984 Remote Similarity NPD5226 Approved
0.5965 Remote Similarity NPD7750 Discontinued
0.5954 Remote Similarity NPD7327 Approved
0.5954 Remote Similarity NPD6335 Approved
0.5954 Remote Similarity NPD7328 Approved
0.595 Remote Similarity NPD6648 Approved
0.5948 Remote Similarity NPD5207 Approved
0.5946 Remote Similarity NPD5209 Approved
0.594 Remote Similarity NPD8335 Approved
0.594 Remote Similarity NPD8378 Approved
0.594 Remote Similarity NPD8266 Approved
0.594 Remote Similarity NPD8379 Approved
0.594 Remote Similarity NPD8269 Approved
0.594 Remote Similarity NPD7503 Approved
0.594 Remote Similarity NPD8267 Approved
0.594 Remote Similarity NPD8268 Approved
0.594 Remote Similarity NPD8296 Approved
0.594 Remote Similarity NPD8380 Approved
0.5935 Remote Similarity NPD5174 Approved
0.5935 Remote Similarity NPD5175 Approved
0.5923 Remote Similarity NPD6274 Approved
0.592 Remote Similarity NPD6412 Phase 2
0.5917 Remote Similarity NPD4755 Approved
0.5917 Remote Similarity NPD7902 Approved
0.5915 Remote Similarity NPD7966 Clinical (unspecified phase)
0.5913 Remote Similarity NPD6903 Approved
0.5913 Remote Similarity NPD5737 Approved
0.5913 Remote Similarity NPD6672 Approved
0.5909 Remote Similarity NPD7516 Approved
0.5906 Remote Similarity NPD4634 Approved
0.5902 Remote Similarity NPD5223 Approved
0.5897 Remote Similarity NPD5693 Phase 1
0.5888 Remote Similarity NPD8039 Approved
0.5882 Remote Similarity NPD4629 Approved
0.5882 Remote Similarity NPD5210 Approved
0.5878 Remote Similarity NPD6317 Approved
0.5877 Remote Similarity NPD7334 Approved
0.5877 Remote Similarity NPD7146 Approved
0.5877 Remote Similarity NPD7521 Approved
0.5877 Remote Similarity NPD6409 Approved
0.5877 Remote Similarity NPD5330 Approved
0.5877 Remote Similarity NPD6684 Approved
0.5873 Remote Similarity NPD4730 Approved
0.5873 Remote Similarity NPD4729 Approved
0.5862 Remote Similarity NPD5328 Approved
0.5854 Remote Similarity NPD7632 Discontinued
0.5841 Remote Similarity NPD4786 Approved
0.5833 Remote Similarity NPD5222 Approved
0.5833 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5833 Remote Similarity NPD6314 Approved
0.5833 Remote Similarity NPD6313 Approved
0.5833 Remote Similarity NPD5221 Approved
0.5827 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5826 Remote Similarity NPD7524 Approved
0.582 Remote Similarity NPD4700 Approved
0.5802 Remote Similarity NPD6868 Approved
0.5798 Remote Similarity NPD7748 Approved
0.5794 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5785 Remote Similarity NPD5173 Approved

Structure

External Identifiers

PubChem CID   90474153
ChEMBL   CHEMBL3264099
ZINC  

Physicochemical Properties

Molecular Weight:  552.27
ALogP:  0.6024
MLogP:  4.1
XLogP:  2.329
# Rotatable Bonds:  9
Polar Surface Area:  119.36
# H-Bond Aceptor:  8
# H-Bond Donor:  2
# Rings:  7
# Heavy Atoms:  40

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