Natural Product: NPC143268

Natural Product ID:  NPC143268
Common Name:   Bruceine B
IUPAC Name:  
Synonyms:  
Molecular Formula:   C23H28O11
Standard InCHIKey:  YDWODLQEUPYKGJ-LZFWDZGBSA-N
Standard InCHI:  InChI=1S/C23H28O11/c1-8-10-5-12-22-7-32-23(20(30)31-4,17(22)15(19(29)34-12)33-9(2)24)18(28)14(27)16(22)21(10,3)6-11(25)13(8)26/h10,12,14-18,26-28H,5-7H2,1-4H3/t10-,12+,14+,15+,16+,17+,18-,21-,22+,23-/m0/s1
Canonical SMILES:  COC(=O)[C@@]12OC[C@]34[C@H]2[C@@H](OC(=O)C)C(=O)O[C@@H]4C[C@@H]2[C@]([C@H]3[C@H]([C@@H]1O)O)(C)CC(=O)C(=C2C)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
NPO12944 Sideritis tragoriganum Species Lamiaceae Eukaryota UNPD*
NPO14749 Lippia carviodora Species Verbenaceae Eukaryota UNPD*
NPO29550 Bruceae fructus NA NA NA TCMSP*
NPO211 Aplysina cauliformis Species Aplysinidae Eukaryota UNPD*
NPO10818 Carpobrotus edulis Species Aizoaceae Eukaryota UNPD*
NPO14948 Brucea javanica Species Simaroubaceae Eukaryota Seeds PMID[20050684]
NPO14948 Brucea javanica Species Simaroubaceae Eukaryota fruit Indonesia PMID[17896817]
NPO11432 Centrolobium tomentosum Species Fabaceae Eukaryota UNPD*
NPO11084 Asplenium normale Species Aspleniaceae Eukaryota UNPD*
NPO15520 Dracocephalum kotschyi Species Lamiaceae Eukaryota UNPD*
NPO12717 Parmelia metastrigosa Species Parmeliaceae Eukaryota UNPD*
NPO12089 Trifolium alexandrinum Species Fabaceae Eukaryota UNPD*
NPO11873 Oecophylla smaragdina Species Formicidae Eukaryota UNPD*
NPO11637 Psilostrophe cooperi Species Asteraceae Eukaryota UNPD*
NPO26718 Chelidonura fulvipunctata Species Aglajidae Eukaryota UNPD*
NPO15146 Myrica nana Species Myricaceae Eukaryota UNPD*
NPO3164 Yponomeuta malinellus Species Yponomeutidae Eukaryota UNPD*
NPO14948 Brucea javanica Species Simaroubaceae Eukaryota UNPD*
NPO1641 Amycolatopsis azurea Species Pseudonocardiaceae Bacteria UNPD*
NPO14845 Ceratophyllum submersum Species Ceratophyllaceae Eukaryota UNPD*
NPO5303 Castanea crenata Species Fagaceae Eukaryota UNPD*
NPO14528 Pneumatospora obcoronata NA NA NA UNPD*
NPO9203 Cephalonomia gallicola Species Bethylidae Eukaryota UNPD*
NPO14150 Solanum jamaicense Species Solanaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT6 Organism Plasmodium falciparum Plasmodium falciparum EC50 = 24 nM 9871598
NPT1759 Cell Line FM3A Mus musculus EC50 = 8000 nM 9871598
NPT1759 Cell Line FM3A Mus musculus Ratio = 333 9871598
NPT6 Organism Plasmodium falciparum Plasmodium falciparum EC50 = 24 nM 12570385
NPT1759 Cell Line FM3A Mus musculus EC50 = 0.008 nM 12570385
NPT1355 Organism Babesia gibsoni Babesia gibsoni IC50 = 0.893 ug/ml 17896817
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 0.011 ug/ml 3298551
NPT474 Organism Plasmodium berghei Plasmodium berghei ED50 = 0.9 mg/kg/day 3298551
NPT474 Organism Plasmodium berghei Plasmodium berghei ED90 = 2.82 mg/kg/day 3298551
NPT474 Organism Plasmodium berghei Plasmodium berghei Inhibition = 95 % 3298551
NPT32 Organism Mus musculus Mus musculus Activity = 100 % 3298551
NPT2 Others Unspecified IC50 = 1900 nM 22506620
NPT180 Cell Line HCT-8 Homo sapiens IC50 = 2000 nM 22506620
NPT65 Cell Line HepG2 Homo sapiens IC50 = 810 nM 22506620
NPT547 Cell Line BGC-823 Homo sapiens IC50 = 810 nM 22506620
NPT81 Cell Line A549 Homo sapiens IC50 = 1300 nM 22506620
NPT146 Cell Line SK-OV-3 Homo sapiens IC50 = 120 nM 22506620
NPT786 Organism Tobacco mosaic virus Tobacco mosaic virus Inhibition = 86.3 % 20050684
NPT786 Organism Tobacco mosaic virus Tobacco mosaic virus IC50 = 3470 nM 20050684
NPT786 Organism Tobacco mosaic virus Tobacco mosaic virus Inhibition = 81.5 % 20050684
NPT786 Organism Tobacco mosaic virus Tobacco mosaic virus Inhibition = 65.2 % 20050684
NPT786 Organism Tobacco mosaic virus Tobacco mosaic virus Inhibition = 40.6 % 20050684
NPT786 Organism Tobacco mosaic virus Tobacco mosaic virus Inhibition = 20.5 % 20050684
NPT786 Organism Tobacco mosaic virus Tobacco mosaic virus Inhibition = 88.9 % 20050684
NPT992 Organism Entamoeba histolytica Entamoeba histolytica IC50 = 0.306 ug/ml 10.1007/s00044-011-9767-1

  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 NPC143268 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 NPC268238
1.0 High Similarity NPC45218
1.0 High Similarity NPC323821
0.9906 High Similarity NPC16081
0.9906 High Similarity NPC173686
0.9633 High Similarity NPC470777
0.9541 High Similarity NPC17772
0.9375 High Similarity NPC312833
0.9292 High Similarity NPC265557
0.9292 High Similarity NPC91693
0.9292 High Similarity NPC105926
0.9292 High Similarity NPC18945
0.9273 High Similarity NPC122033
0.9273 High Similarity NPC474654
0.9273 High Similarity NPC470854
0.9273 High Similarity NPC287343
0.9273 High Similarity NPC97908
0.9211 High Similarity NPC24651
0.9211 High Similarity NPC476729
0.9182 High Similarity NPC40632
0.9182 High Similarity NPC96312
0.9182 High Similarity NPC251236
0.9182 High Similarity NPC328374
0.9174 High Similarity NPC49451
0.913 High Similarity NPC87662
0.9091 High Similarity NPC473798
0.9018 High Similarity NPC188667
0.9018 High Similarity NPC297179
0.9018 High Similarity NPC204552
0.9018 High Similarity NPC470776
0.9 High Similarity NPC7921
0.9 High Similarity NPC208998
0.8972 High Similarity NPC202524
0.8966 High Similarity NPC477745
0.8957 High Similarity NPC67251
0.8947 High Similarity NPC470779
0.8947 High Similarity NPC102822
0.8947 High Similarity NPC477046
0.8889 High Similarity NPC476008
0.8879 High Similarity NPC181357
0.886 High Similarity NPC112038
0.885 High Similarity NPC251310
0.8839 High Similarity NPC134869
0.8839 High Similarity NPC207217
0.8839 High Similarity NPC152199
0.8839 High Similarity NPC235539
0.8829 High Similarity NPC198539
0.8818 High Similarity NPC146945
0.8818 High Similarity NPC171888
0.8814 High Similarity NPC295220
0.8814 High Similarity NPC475636
0.8772 High Similarity NPC469488
0.8761 High Similarity NPC470775
0.8761 High Similarity NPC176513
0.875 High Similarity NPC474906
0.875 High Similarity NPC18547
0.8739 High Similarity NPC54614
0.8739 High Similarity NPC474516
0.8739 High Similarity NPC11252
0.8739 High Similarity NPC289312
0.8739 High Similarity NPC309096
0.8716 High Similarity NPC293850
0.8673 High Similarity NPC474734
0.8649 High Similarity NPC201992
0.8636 High Similarity NPC27814
0.8632 High Similarity NPC227397
0.8624 High Similarity NPC3316
0.8624 High Similarity NPC144854
0.8611 High Similarity NPC65523
0.8596 High Similarity NPC470778
0.8596 High Similarity NPC473590
0.8596 High Similarity NPC146432
0.8584 High Similarity NPC299849
0.8559 High Similarity NPC470922
0.8545 High Similarity NPC277017
0.8545 High Similarity NPC154608
0.8545 High Similarity NPC192813
0.8537 High Similarity NPC262813
0.8509 High Similarity NPC213084
0.8509 High Similarity NPC190185
0.8509 High Similarity NPC89929
0.85 High Similarity NPC188291
0.8496 Intermediate Similarity NPC51978
0.8496 Intermediate Similarity NPC94509
0.8482 Intermediate Similarity NPC34315
0.8468 Intermediate Similarity NPC251998
0.8468 Intermediate Similarity NPC471089
0.8468 Intermediate Similarity NPC141215
0.8468 Intermediate Similarity NPC190065
0.8462 Intermediate Similarity NPC275675
0.8448 Intermediate Similarity NPC258592
0.8448 Intermediate Similarity NPC178548
0.8443 Intermediate Similarity NPC102316
0.8443 Intermediate Similarity NPC100390
0.8443 Intermediate Similarity NPC254614
0.843 Intermediate Similarity NPC264192
0.8407 Intermediate Similarity NPC193948
0.8407 Intermediate Similarity NPC90769
0.8407 Intermediate Similarity NPC472002
0.84 Intermediate Similarity NPC140045
0.84 Intermediate Similarity NPC295885
0.84 Intermediate Similarity NPC596
0.8393 Intermediate Similarity NPC100908
0.8378 Intermediate Similarity NPC94942
0.8376 Intermediate Similarity NPC478051
0.8376 Intermediate Similarity NPC107338
0.8376 Intermediate Similarity NPC109607
0.8374 Intermediate Similarity NPC168879
0.8364 Intermediate Similarity NPC102352
0.8362 Intermediate Similarity NPC240509
0.8348 Intermediate Similarity NPC474046
0.8348 Intermediate Similarity NPC470628
0.8348 Intermediate Similarity NPC259306
0.8333 Intermediate Similarity NPC285091
0.832 Intermediate Similarity NPC243014
0.8319 Intermediate Similarity NPC157476
0.8319 Intermediate Similarity NPC472003
0.8305 Intermediate Similarity NPC241310
0.8305 Intermediate Similarity NPC278163
0.8305 Intermediate Similarity NPC169727
0.8305 Intermediate Similarity NPC187950
0.8305 Intermediate Similarity NPC47567
0.8305 Intermediate Similarity NPC412
0.8305 Intermediate Similarity NPC194310
0.8305 Intermediate Similarity NPC258789
0.8305 Intermediate Similarity NPC258815
0.8305 Intermediate Similarity NPC131841
0.8304 Intermediate Similarity NPC474242
0.8293 Intermediate Similarity NPC6274
0.8293 Intermediate Similarity NPC254146
0.8293 Intermediate Similarity NPC33378
0.8291 Intermediate Similarity NPC473920
0.8291 Intermediate Similarity NPC476529
0.8291 Intermediate Similarity NPC279143
0.8291 Intermediate Similarity NPC268958
0.8291 Intermediate Similarity NPC127530
0.8291 Intermediate Similarity NPC475775
0.8276 Intermediate Similarity NPC27999
0.8276 Intermediate Similarity NPC477116
0.8261 Intermediate Similarity NPC117712
0.8261 Intermediate Similarity NPC247069
0.8261 Intermediate Similarity NPC470919
0.8261 Intermediate Similarity NPC469877
0.8261 Intermediate Similarity NPC243354
0.825 Intermediate Similarity NPC30188
0.825 Intermediate Similarity NPC177820
0.825 Intermediate Similarity NPC473255
0.8246 Intermediate Similarity NPC302146
0.8235 Intermediate Similarity NPC471965
0.823 Intermediate Similarity NPC474567
0.823 Intermediate Similarity NPC210005
0.823 Intermediate Similarity NPC85391
0.822 Intermediate Similarity NPC251226
0.8205 Intermediate Similarity NPC106644
0.8198 Intermediate Similarity NPC292588
0.819 Intermediate Similarity NPC179626
0.8182 Intermediate Similarity NPC275583
0.8182 Intermediate Similarity NPC225049
0.8174 Intermediate Similarity NPC194273
0.8174 Intermediate Similarity NPC320118
0.8174 Intermediate Similarity NPC33360
0.8174 Intermediate Similarity NPC477266
0.8174 Intermediate Similarity NPC194100
0.8167 Intermediate Similarity NPC202666
0.8167 Intermediate Similarity NPC471961
0.8167 Intermediate Similarity NPC262199
0.8167 Intermediate Similarity NPC471964
0.8167 Intermediate Similarity NPC14617
0.8158 Intermediate Similarity NPC471243
0.8151 Intermediate Similarity NPC470921
0.8151 Intermediate Similarity NPC4021
0.8151 Intermediate Similarity NPC159456
0.8142 Intermediate Similarity NPC310546
0.8142 Intermediate Similarity NPC141350
0.8136 Intermediate Similarity NPC319570
0.8136 Intermediate Similarity NPC230513
0.8125 Intermediate Similarity NPC166993
0.812 Intermediate Similarity NPC309433
0.812 Intermediate Similarity NPC55296
0.812 Intermediate Similarity NPC58662
0.8115 Intermediate Similarity NPC470780
0.8115 Intermediate Similarity NPC470882
0.8108 Intermediate Similarity NPC475036
0.8099 Intermediate Similarity NPC469841
0.8099 Intermediate Similarity NPC469842
0.8099 Intermediate Similarity NPC471962
0.8099 Intermediate Similarity NPC7850
0.8099 Intermediate Similarity NPC6615
0.8099 Intermediate Similarity NPC471963
0.8099 Intermediate Similarity NPC247315
0.8087 Intermediate Similarity NPC205534
0.8087 Intermediate Similarity NPC269530
0.8083 Intermediate Similarity NPC65858
0.8083 Intermediate Similarity NPC235438
0.8083 Intermediate Similarity NPC222688
0.8083 Intermediate Similarity NPC107966
0.8083 Intermediate Similarity NPC249848
0.8083 Intermediate Similarity NPC40775
0.8073 Intermediate Similarity NPC472972
0.807 Intermediate Similarity NPC320383

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC143268 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
0.822 Intermediate Similarity NPD6319 Approved
0.8167 Intermediate Similarity NPD8328 Phase 3
0.812 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.8053 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7826 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7826 Intermediate Similarity NPD6373 Approved
0.7826 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7826 Intermediate Similarity NPD6372 Approved
0.7805 Intermediate Similarity NPD7492 Approved
0.7778 Intermediate Similarity NPD8297 Approved
0.7769 Intermediate Similarity NPD6059 Approved
0.7769 Intermediate Similarity NPD6054 Approved
0.776 Intermediate Similarity NPD7736 Approved
0.7759 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7742 Intermediate Similarity NPD6616 Approved
0.7719 Intermediate Similarity NPD5739 Approved
0.7719 Intermediate Similarity NPD7128 Approved
0.7719 Intermediate Similarity NPD6675 Approved
0.7719 Intermediate Similarity NPD6402 Approved
0.7712 Intermediate Similarity NPD4632 Approved
0.7705 Intermediate Similarity NPD6015 Approved
0.7705 Intermediate Similarity NPD6016 Approved
0.7692 Intermediate Similarity NPD6650 Approved
0.7692 Intermediate Similarity NPD6649 Approved
0.768 Intermediate Similarity NPD8293 Discontinued
0.768 Intermediate Similarity NPD7078 Approved
0.7652 Intermediate Similarity NPD5701 Approved
0.7652 Intermediate Similarity NPD5697 Approved
0.7642 Intermediate Similarity NPD6370 Approved
0.7642 Intermediate Similarity NPD5988 Approved
0.7586 Intermediate Similarity NPD6899 Approved
0.7586 Intermediate Similarity NPD7320 Approved
0.7586 Intermediate Similarity NPD6881 Approved
0.7521 Intermediate Similarity NPD6009 Approved
0.7521 Intermediate Similarity NPD6014 Approved
0.7521 Intermediate Similarity NPD6013 Approved
0.7521 Intermediate Similarity NPD6012 Approved
0.75 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7479 Intermediate Similarity NPD6882 Approved
0.7458 Intermediate Similarity NPD6883 Approved
0.7458 Intermediate Similarity NPD7102 Approved
0.7458 Intermediate Similarity NPD4634 Approved
0.7458 Intermediate Similarity NPD7290 Approved
0.7436 Intermediate Similarity NPD6011 Approved
0.7422 Intermediate Similarity NPD7319 Approved
0.7419 Intermediate Similarity NPD5983 Phase 2
0.7419 Intermediate Similarity NPD6921 Approved
0.7395 Intermediate Similarity NPD8130 Phase 1
0.7395 Intermediate Similarity NPD6847 Approved
0.7395 Intermediate Similarity NPD6869 Approved
0.7395 Intermediate Similarity NPD6617 Approved
0.7302 Intermediate Similarity NPD7604 Phase 2
0.7265 Intermediate Similarity NPD6008 Approved
0.7257 Intermediate Similarity NPD4755 Approved
0.725 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7236 Intermediate Similarity NPD7115 Discovery
0.7209 Intermediate Similarity NPD6033 Approved
0.7203 Intermediate Similarity NPD6412 Phase 2
0.7193 Intermediate Similarity NPD5696 Approved
0.7188 Intermediate Similarity NPD7507 Approved
0.7188 Intermediate Similarity NPD6336 Discontinued
0.7154 Intermediate Similarity NPD6274 Approved
0.713 Intermediate Similarity NPD4696 Approved
0.713 Intermediate Similarity NPD4700 Approved
0.713 Intermediate Similarity NPD5286 Approved
0.713 Intermediate Similarity NPD5285 Approved
0.7105 Intermediate Similarity NPD6083 Phase 2
0.7105 Intermediate Similarity NPD6084 Phase 2
0.7105 Intermediate Similarity NPD7902 Approved
0.7043 Intermediate Similarity NPD4225 Approved
0.7018 Intermediate Similarity NPD4697 Phase 3
0.7009 Intermediate Similarity NPD5211 Phase 2
0.7009 Intermediate Similarity NPD5226 Approved
0.7009 Intermediate Similarity NPD5224 Approved
0.7009 Intermediate Similarity NPD4633 Approved
0.7009 Intermediate Similarity NPD5225 Approved
0.7 Intermediate Similarity NPD6686 Approved
0.6991 Remote Similarity NPD5282 Discontinued
0.6991 Remote Similarity NPD7748 Approved
0.6984 Remote Similarity NPD7101 Approved
0.6984 Remote Similarity NPD7100 Approved
0.6975 Remote Similarity NPD4768 Approved
0.6975 Remote Similarity NPD4767 Approved
0.6964 Remote Similarity NPD7515 Phase 2
0.696 Remote Similarity NPD6317 Approved
0.6949 Remote Similarity NPD5174 Approved
0.6949 Remote Similarity NPD5175 Approved
0.693 Remote Similarity NPD5695 Phase 3
0.6923 Remote Similarity NPD5223 Approved
0.6923 Remote Similarity NPD1700 Approved
0.6909 Remote Similarity NPD3573 Approved
0.6905 Remote Similarity NPD6335 Approved
0.6905 Remote Similarity NPD6313 Approved
0.6905 Remote Similarity NPD6314 Approved
0.6891 Remote Similarity NPD5141 Approved
0.6875 Remote Similarity NPD6908 Approved
0.6875 Remote Similarity NPD8513 Phase 3
0.6875 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6875 Remote Similarity NPD8517 Approved
0.6875 Remote Similarity NPD8515 Approved
0.6875 Remote Similarity NPD8516 Approved
0.6875 Remote Similarity NPD6909 Approved
0.687 Remote Similarity NPD5220 Clinical (unspecified phase)
0.687 Remote Similarity NPD5222 Approved
0.687 Remote Similarity NPD5221 Approved
0.686 Remote Similarity NPD4729 Approved
0.686 Remote Similarity NPD4730 Approved
0.685 Remote Similarity NPD7516 Approved
0.6842 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6842 Remote Similarity NPD7900 Approved
0.6818 Remote Similarity NPD3618 Phase 1
0.681 Remote Similarity NPD5173 Approved
0.6807 Remote Similarity NPD4754 Approved
0.6786 Remote Similarity NPD5328 Approved
0.6772 Remote Similarity NPD7328 Approved
0.6772 Remote Similarity NPD7327 Approved
0.6754 Remote Similarity NPD6399 Phase 3
0.6752 Remote Similarity NPD7638 Approved
0.6748 Remote Similarity NPD5249 Phase 3
0.6748 Remote Similarity NPD5247 Approved
0.6748 Remote Similarity NPD5248 Approved
0.6748 Remote Similarity NPD5250 Approved
0.6748 Remote Similarity NPD5251 Approved
0.6746 Remote Similarity NPD6868 Approved
0.6741 Remote Similarity NPD6845 Suspended
0.6721 Remote Similarity NPD5128 Approved
0.672 Remote Similarity NPD8133 Approved
0.6696 Remote Similarity NPD5737 Approved
0.6696 Remote Similarity NPD6672 Approved
0.6695 Remote Similarity NPD7640 Approved
0.6695 Remote Similarity NPD7639 Approved
0.6667 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6411 Approved
0.6667 Remote Similarity NPD7260 Phase 2
0.6667 Remote Similarity NPD6079 Approved
0.6638 Remote Similarity NPD4629 Approved
0.6638 Remote Similarity NPD5210 Approved
0.6637 Remote Similarity NPD4753 Phase 2
0.6615 Remote Similarity NPD8378 Approved
0.6615 Remote Similarity NPD8296 Approved
0.6615 Remote Similarity NPD8380 Approved
0.6615 Remote Similarity NPD8335 Approved
0.6615 Remote Similarity NPD7503 Approved
0.6615 Remote Similarity NPD8379 Approved
0.6609 Remote Similarity NPD4202 Approved
0.6593 Remote Similarity NPD5956 Approved
0.6583 Remote Similarity NPD7632 Discontinued
0.6565 Remote Similarity NPD8080 Discontinued
0.656 Remote Similarity NPD5215 Approved
0.656 Remote Similarity NPD5216 Approved
0.656 Remote Similarity NPD5217 Approved
0.6542 Remote Similarity NPD3617 Approved
0.6538 Remote Similarity NPD8377 Approved
0.6538 Remote Similarity NPD8294 Approved
0.6522 Remote Similarity NPD8034 Phase 2
0.6522 Remote Similarity NPD8035 Phase 2
0.6504 Remote Similarity NPD7899 Clinical (unspecified phase)
0.65 Remote Similarity NPD6334 Approved
0.65 Remote Similarity NPD6333 Approved
0.6496 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6493 Remote Similarity NPD8074 Phase 3
0.6491 Remote Similarity NPD6904 Approved
0.6491 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6491 Remote Similarity NPD6101 Approved
0.6491 Remote Similarity NPD6673 Approved
0.6491 Remote Similarity NPD6080 Approved
0.6491 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6489 Remote Similarity NPD8033 Approved
0.648 Remote Similarity NPD5135 Approved
0.648 Remote Similarity NPD5169 Approved
0.648 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6475 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6429 Remote Similarity NPD5127 Approved
0.6429 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6404 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6391 Remote Similarity NPD6067 Discontinued
0.6379 Remote Similarity NPD5693 Phase 1
0.6378 Remote Similarity NPD6053 Discontinued
0.6372 Remote Similarity NPD7521 Approved
0.6372 Remote Similarity NPD6409 Approved
0.6372 Remote Similarity NPD5330 Approved
0.6372 Remote Similarity NPD7146 Approved
0.6372 Remote Similarity NPD6684 Approved
0.6372 Remote Similarity NPD7334 Approved
0.6364 Remote Similarity NPD8274 Clinical (unspecified phase)
0.6356 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6349 Remote Similarity NPD6371 Approved
0.6339 Remote Similarity NPD3665 Phase 1
0.6339 Remote Similarity NPD3666 Approved
0.6339 Remote Similarity NPD3133 Approved
0.6336 Remote Similarity NPD4522 Approved
0.6325 Remote Similarity NPD5778 Approved
0.6325 Remote Similarity NPD5779 Approved
0.632 Remote Similarity NPD5168 Approved
0.6312 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6306 Remote Similarity NPD3667 Approved
0.6293 Remote Similarity NPD5692 Phase 3
0.6293 Remote Similarity NPD46 Approved
0.6293 Remote Similarity NPD6698 Approved
0.6283 Remote Similarity NPD1694 Approved

Structure

External Identifiers

PubChem CID   161496
ChEMBL   CHEMBL140809
ZINC  

Physicochemical Properties

Molecular Weight:  480.16
ALogP:  -1.8334
MLogP:  2.78
XLogP:  0.021
# Rotatable Bonds:  11
Polar Surface Area:  165.89
# H-Bond Aceptor:  11
# H-Bond Donor:  3
# Rings:  5
# Heavy Atoms:  34

Download Data

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