Natural Product: NPC189126

Natural Product ID:  NPC189126
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C41H62O14
Standard InCHIKey:  UTQDRWSHVALSEO-VNVYXMEHSA-N
Standard InCHI:  InChI=1S/C41H62O14/c1-20-36(43)29(45-6)16-34(49-20)54-37-21(2)50-32(15-28(37)42)55-38-22(3)51-33(17-30(38)46-7)52-25-12-13-40(4)24(14-25)9-10-26-27(40)11-8-23-18-47-41(5)35(23)31(19-48-41)53-39(26)44/h9,18,20-22,25-38,42-43H,8,10-17,19H2,1-7H3/t20-,21+,22+,25-,26-,27-,28-,29+,30+,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-/m0/s1
Canonical SMILES:  CO[C@@H]1C[C@H](O[C@H]2CC[C@]3(C(=CC[C@H]4[C@@H]3CCC3=CO[C@@]5([C@H]3[C@H](OC4=O)CO5)C)C2)C)O[C@@H]([C@H]1O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@@H](OC)[C@H]([C@@H](O1)C)O)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
NPO25330 Maackia floribunda Species Fabaceae Eukaryota UNPD*
NPO28197 Huperzia selago Species Lycopodiaceae Eukaryota UNPD*
NPO28507 Hymenoxys grandiflora Species Asteraceae Eukaryota UNPD*
NPO29042 Vincetoxicum atratum Species Apocynaceae Eukaryota UNPD*
NPO10135 Tripteris microcarpa Species Asteraceae Eukaryota UNPD*
NPO28372 Corydalis pallida Species Papaveraceae Eukaryota UNPD*
NPO28282 Turbina corymbosa Species Convolvulaceae Eukaryota UNPD*
NPO28214 Phyllosticta cirsii Species Phyllostictaceae Eukaryota UNPD*
NPO11786 Cylindropuntia leptocaulis Species Cactaceae Eukaryota UNPD*
NPO27938 Meliosma wightii Species Sabiaceae Eukaryota UNPD*
NPO25999 Ferula communis Species Apiaceae Eukaryota UNPD*
NPO28479 Campanula hypopolia Species Campanulaceae Eukaryota UNPD*
NPO28404 Chasmanthera dependens Species Menispermaceae Eukaryota UNPD*
NPO29859 Cynanchum stauntonii Species Apocynaceae Eukaryota PMID[24761833]
NPO26214 Baccharis artemisioides Species Asteraceae Eukaryota UNPD*
NPO28228 Kielmeyera rubriflora Species Calophyllaceae Eukaryota UNPD*
NPO28494 Hydroclathrus tenuis Species Scytosiphonaceae Eukaryota UNPD*
NPO28443 Larix lyallii Species Pinaceae Eukaryota UNPD*
NPO28300 Sorbaria arborea Species Rosaceae Eukaryota UNPD*
NPO28158 Polygala fruticosa Species Polygalaceae Eukaryota UNPD*
NPO26885 Dictyosphaeria favulosa Species Siphonocladaceae Eukaryota UNPD*
NPO10658 Pedicularis rhinanthoides Species Orobanchaceae Eukaryota UNPD*
NPO29373 Trichoplusia ni Species Noctuidae Eukaryota UNPD*
NPO27891 Lethariella sinensis Species Parmeliaceae Eukaryota UNPD*
NPO28651 Othonna tagetes Species Asteraceae Eukaryota UNPD*
NPO26324 Fevillea cordifolia Species Cucurbitaceae Eukaryota UNPD*
NPO26953 Hebeloma senescens Species Cortinariaceae Eukaryota UNPD*
NPO25900 Pteris podophylla Species Pteridaceae Eukaryota UNPD*
NPO28176 Russula lepida Species Russulaceae Eukaryota UNPD*
NPO28593 Pteris pedata Species Pteridaceae Eukaryota UNPD*
NPO28316 Scandix pecten-veneris Species Apiaceae Eukaryota UNPD*
NPO25927 Dictyota dentata Species Dictyotaceae Eukaryota UNPD*
NPO28425 Senecio miser Species Asteraceae Eukaryota UNPD*
NPO27906 Philadelphus coronarius Species Hydrangeaceae Eukaryota UNPD*
NPO9245 Ventilago madraspatana Species Rhamnaceae Eukaryota UNPD*
NPO28525 Urginea riparia Species Hyacinthaceae Eukaryota UNPD*
NPO27831 Phakellia flabellata Species Bubaridae Eukaryota UNPD*
NPO26455 Merwilla natalensis Species Hyacinthaceae Eukaryota UNPD*
NPO27918 Pterocarpus macrocarpus Species Fabaceae Eukaryota UNPD*
NPO26982 Callyspongia siphonella Species Callyspongiidae Eukaryota UNPD*
NPO28574 Oroxylum indicum Species Bignoniaceae Eukaryota UNPD*
NPO28543 Alcyonium coralloides Species Alcyoniidae Eukaryota UNPD*
NPO27956 Eupatoriastrum nelsonii NA NA NA UNPD*
NPO28333 Syzygium levinei Species Myrtaceae Eukaryota UNPD*
NPO28071 Dendrobates auratus Species Dendrobatidae Eukaryota UNPD*
NPO27850 Trichilia catigua Species Meliaceae Eukaryota UNPD*
NPO28050 Thalictrum podocarpum Species Ranunculaceae Eukaryota UNPD*
NPO28461 Crepis czerepanovii Species Asteraceae Eukaryota UNPD*
NPO25874 Tuber borchii Species Tuberaceae Eukaryota UNPD*
NPO28107 Penicillium expansum Species Aspergillaceae Eukaryota UNPD*
NPO25823 Haminoea navicula Species Haminoeidae Eukaryota UNPD*
NPO28611 Phragmatobia fuliginosa Species Erebidae Eukaryota UNPD*
NPO28668 Agave cocui Species Asparagaceae Eukaryota UNPD*
NPO28009 Pellina semitubulosa NA NA NA UNPD*
NPO4538 Paysonia densipila Species Brassicaceae Eukaryota UNPD*
NPO27973 Simaba cuneata Species Simaroubaceae Eukaryota UNPD*
NPO26809 Synoicum blochmanni Species Polyclinidae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified EC50 = 850 nM 24761833
NPT2 Others Unspecified EC50 = 480 nM 24761833

  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 NPC189126 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
0.9528 High Similarity NPC127153
0.875 High Similarity NPC251309
0.875 High Similarity NPC124296
0.875 High Similarity NPC258885
0.8739 High Similarity NPC297208
0.8739 High Similarity NPC211798
0.8739 High Similarity NPC235841
0.8739 High Similarity NPC164419
0.8739 High Similarity NPC473481
0.8739 High Similarity NPC30397
0.8739 High Similarity NPC108748
0.8716 High Similarity NPC293512
0.8673 High Similarity NPC473882
0.8661 High Similarity NPC101744
0.8661 High Similarity NPC233003
0.8661 High Similarity NPC473373
0.8661 High Similarity NPC475504
0.8661 High Similarity NPC109079
0.8661 High Similarity NPC128925
0.8661 High Similarity NPC102439
0.8661 High Similarity NPC292677
0.8661 High Similarity NPC256798
0.8661 High Similarity NPC139044
0.8661 High Similarity NPC471383
0.8661 High Similarity NPC324875
0.8661 High Similarity NPC475516
0.8661 High Similarity NPC104071
0.8661 High Similarity NPC79718
0.8661 High Similarity NPC276093
0.8661 High Similarity NPC257468
0.8661 High Similarity NPC104400
0.8661 High Similarity NPC10320
0.8661 High Similarity NPC469946
0.8649 High Similarity NPC127056
0.8649 High Similarity NPC136877
0.8649 High Similarity NPC59804
0.8649 High Similarity NPC174679
0.8649 High Similarity NPC78046
0.8649 High Similarity NPC270667
0.8649 High Similarity NPC474589
0.8649 High Similarity NPC164194
0.8649 High Similarity NPC279554
0.8649 High Similarity NPC90856
0.8649 High Similarity NPC56713
0.8649 High Similarity NPC29069
0.8649 High Similarity NPC274507
0.8649 High Similarity NPC269095
0.8649 High Similarity NPC475296
0.8636 High Similarity NPC295389
0.8609 High Similarity NPC475899
0.8609 High Similarity NPC105800
0.8609 High Similarity NPC232237
0.8596 High Similarity NPC58448
0.8596 High Similarity NPC160415
0.8596 High Similarity NPC161674
0.8596 High Similarity NPC471384
0.8585 High Similarity NPC241657
0.8584 High Similarity NPC309714
0.8584 High Similarity NPC47063
0.8584 High Similarity NPC134835
0.8584 High Similarity NPC133818
0.8584 High Similarity NPC473343
0.8584 High Similarity NPC138334
0.8584 High Similarity NPC46665
0.8584 High Similarity NPC475467
0.8584 High Similarity NPC251263
0.8584 High Similarity NPC219180
0.8584 High Similarity NPC114287
0.8584 High Similarity NPC96641
0.8584 High Similarity NPC151543
0.8584 High Similarity NPC192600
0.8584 High Similarity NPC475287
0.8584 High Similarity NPC204458
0.8584 High Similarity NPC174720
0.8584 High Similarity NPC293658
0.8584 High Similarity NPC150400
0.8584 High Similarity NPC473826
0.8584 High Similarity NPC241909
0.8584 High Similarity NPC155410
0.8584 High Similarity NPC166422
0.8584 High Similarity NPC295823
0.8584 High Similarity NPC114304
0.8584 High Similarity NPC73318
0.8584 High Similarity NPC163183
0.8584 High Similarity NPC323341
0.8584 High Similarity NPC189884
0.8584 High Similarity NPC474410
0.8571 High Similarity NPC179434
0.8571 High Similarity NPC191763
0.8559 High Similarity NPC256983
0.8559 High Similarity NPC137917
0.8559 High Similarity NPC57362
0.8559 High Similarity NPC204407
0.8559 High Similarity NPC237503
0.8559 High Similarity NPC476542
0.8559 High Similarity NPC306746
0.8559 High Similarity NPC167383
0.8547 High Similarity NPC477463
0.8534 High Similarity NPC477464
0.8534 High Similarity NPC161738
0.8534 High Similarity NPC207738
0.8522 High Similarity NPC68175
0.8522 High Similarity NPC110633
0.8522 High Similarity NPC136768
0.8522 High Similarity NPC148417
0.8509 High Similarity NPC119592
0.8509 High Similarity NPC70809
0.8509 High Similarity NPC43550
0.8509 High Similarity NPC471385
0.8509 High Similarity NPC79643
0.8509 High Similarity NPC471550
0.8509 High Similarity NPC202828
0.8509 High Similarity NPC224381
0.8509 High Similarity NPC164389
0.8509 High Similarity NPC305981
0.8509 High Similarity NPC294453
0.8509 High Similarity NPC227551
0.8509 High Similarity NPC54636
0.8509 High Similarity NPC261506
0.8509 High Similarity NPC204414
0.8509 High Similarity NPC67857
0.8509 High Similarity NPC309907
0.8509 High Similarity NPC476068
0.8509 High Similarity NPC250247
0.8509 High Similarity NPC4328
0.8509 High Similarity NPC60557
0.8509 High Similarity NPC76972
0.8509 High Similarity NPC123199
0.8509 High Similarity NPC165439
0.8509 High Similarity NPC298034
0.8509 High Similarity NPC71065
0.8509 High Similarity NPC65105
0.8509 High Similarity NPC473714
0.8509 High Similarity NPC475486
0.8509 High Similarity NPC236638
0.8509 High Similarity NPC475140
0.8509 High Similarity NPC161717
0.8509 High Similarity NPC475160
0.8509 High Similarity NPC100639
0.8509 High Similarity NPC41061
0.8509 High Similarity NPC469782
0.8509 High Similarity NPC293330
0.8509 High Similarity NPC57484
0.8496 Intermediate Similarity NPC116794
0.8496 Intermediate Similarity NPC46388
0.8496 Intermediate Similarity NPC139894
0.8496 Intermediate Similarity NPC474265
0.8496 Intermediate Similarity NPC195132
0.8496 Intermediate Similarity NPC37739
0.8496 Intermediate Similarity NPC473383
0.8496 Intermediate Similarity NPC161434
0.8496 Intermediate Similarity NPC80843
0.8496 Intermediate Similarity NPC210420
0.8496 Intermediate Similarity NPC1046
0.8482 Intermediate Similarity NPC476882
0.8482 Intermediate Similarity NPC476883
0.8482 Intermediate Similarity NPC102914
0.8482 Intermediate Similarity NPC476885
0.8482 Intermediate Similarity NPC108709
0.8482 Intermediate Similarity NPC220984
0.8482 Intermediate Similarity NPC476886
0.8482 Intermediate Similarity NPC476884
0.8482 Intermediate Similarity NPC476881
0.8482 Intermediate Similarity NPC199457
0.8482 Intermediate Similarity NPC68419
0.8482 Intermediate Similarity NPC476887
0.8482 Intermediate Similarity NPC476880
0.8482 Intermediate Similarity NPC110139
0.8482 Intermediate Similarity NPC129340
0.8482 Intermediate Similarity NPC75747
0.8482 Intermediate Similarity NPC7870
0.8475 Intermediate Similarity NPC475431
0.8468 Intermediate Similarity NPC28198
0.8468 Intermediate Similarity NPC284807
0.8468 Intermediate Similarity NPC476123
0.8468 Intermediate Similarity NPC177246
0.8462 Intermediate Similarity NPC142151
0.8462 Intermediate Similarity NPC153673
0.8462 Intermediate Similarity NPC473645
0.8462 Intermediate Similarity NPC144644
0.8462 Intermediate Similarity NPC37860
0.8462 Intermediate Similarity NPC110385
0.8462 Intermediate Similarity NPC267694
0.8448 Intermediate Similarity NPC36831
0.8448 Intermediate Similarity NPC475357
0.8435 Intermediate Similarity NPC305267
0.8435 Intermediate Similarity NPC37134
0.8435 Intermediate Similarity NPC476992
0.8435 Intermediate Similarity NPC26626
0.8435 Intermediate Similarity NPC291903
0.8435 Intermediate Similarity NPC279638
0.8435 Intermediate Similarity NPC288205
0.8435 Intermediate Similarity NPC51465
0.8435 Intermediate Similarity NPC75287
0.8421 Intermediate Similarity NPC475208
0.8421 Intermediate Similarity NPC238935
0.8421 Intermediate Similarity NPC271138
0.8421 Intermediate Similarity NPC477074
0.8421 Intermediate Similarity NPC269315
0.8407 Intermediate Similarity NPC285410

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC189126 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
0.807 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7982 Intermediate Similarity NPD6686 Approved
0.7949 Intermediate Similarity NPD8133 Approved
0.7899 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7895 Intermediate Similarity NPD6412 Phase 2
0.7805 Intermediate Similarity NPD8328 Phase 3
0.7705 Intermediate Similarity NPD8294 Approved
0.7705 Intermediate Similarity NPD8377 Approved
0.7642 Intermediate Similarity NPD8296 Approved
0.7642 Intermediate Similarity NPD8380 Approved
0.7642 Intermediate Similarity NPD8335 Approved
0.7642 Intermediate Similarity NPD8517 Approved
0.7642 Intermediate Similarity NPD8033 Approved
0.7642 Intermediate Similarity NPD8378 Approved
0.7642 Intermediate Similarity NPD8515 Approved
0.7642 Intermediate Similarity NPD8379 Approved
0.7642 Intermediate Similarity NPD8516 Approved
0.7642 Intermediate Similarity NPD8513 Phase 3
0.754 Intermediate Similarity NPD7507 Approved
0.7479 Intermediate Similarity NPD8413 Clinical (unspecified phase)
0.7364 Intermediate Similarity NPD7319 Approved
0.7287 Intermediate Similarity NPD7736 Approved
0.7265 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7258 Intermediate Similarity NPD7328 Approved
0.7258 Intermediate Similarity NPD7327 Approved
0.7222 Intermediate Similarity NPD7503 Approved
0.7209 Intermediate Similarity NPD8293 Discontinued
0.72 Intermediate Similarity NPD7516 Approved
0.7031 Intermediate Similarity NPD6370 Approved
0.6991 Remote Similarity NPD6399 Phase 3
0.693 Remote Similarity NPD7748 Approved
0.6923 Remote Similarity NPD7492 Approved
0.6897 Remote Similarity NPD7902 Approved
0.6875 Remote Similarity NPD6059 Approved
0.6875 Remote Similarity NPD6054 Approved
0.687 Remote Similarity NPD6616 Approved
0.6846 Remote Similarity NPD6067 Discontinued
0.6842 Remote Similarity NPD8171 Discontinued
0.6818 Remote Similarity NPD7078 Approved
0.6815 Remote Similarity NPD8449 Approved
0.6772 Remote Similarity NPD8137 Clinical (unspecified phase)
0.6765 Remote Similarity NPD8450 Suspended
0.6754 Remote Similarity NPD7515 Phase 2
0.6748 Remote Similarity NPD4061 Clinical (unspecified phase)
0.672 Remote Similarity NPD8297 Approved
0.672 Remote Similarity NPD6882 Approved
0.6692 Remote Similarity NPD8074 Phase 3
0.6692 Remote Similarity NPD6015 Approved
0.6692 Remote Similarity NPD6016 Approved
0.6667 Remote Similarity NPD6698 Approved
0.6667 Remote Similarity NPD46 Approved
0.6641 Remote Similarity NPD6009 Approved
0.6641 Remote Similarity NPD5988 Approved
0.6638 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6638 Remote Similarity NPD7900 Approved
0.6615 Remote Similarity NPD6319 Approved
0.6609 Remote Similarity NPD6411 Approved
0.6587 Remote Similarity NPD6053 Discontinued
0.6577 Remote Similarity NPD4786 Approved
0.6565 Remote Similarity NPD8274 Clinical (unspecified phase)
0.656 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6555 Remote Similarity NPD7638 Approved
0.6545 Remote Similarity NPD3667 Approved
0.6535 Remote Similarity NPD4632 Approved
0.6532 Remote Similarity NPD7320 Approved
0.6515 Remote Similarity NPD8080 Discontinued
0.6512 Remote Similarity NPD7115 Discovery
0.6504 Remote Similarity NPD6675 Approved
0.6504 Remote Similarity NPD7128 Approved
0.6504 Remote Similarity NPD5739 Approved
0.6504 Remote Similarity NPD6402 Approved
0.6504 Remote Similarity NPD6008 Approved
0.65 Remote Similarity NPD7640 Approved
0.65 Remote Similarity NPD7639 Approved
0.6496 Remote Similarity NPD5282 Discontinued
0.648 Remote Similarity NPD6372 Approved
0.648 Remote Similarity NPD6373 Approved
0.6471 Remote Similarity NPD6083 Phase 2
0.6471 Remote Similarity NPD6084 Phase 2
0.6466 Remote Similarity NPD7983 Approved
0.6466 Remote Similarity NPD8034 Phase 2
0.6466 Remote Similarity NPD8035 Phase 2
0.6435 Remote Similarity NPD6101 Approved
0.6435 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6417 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6417 Remote Similarity NPD4225 Approved
0.64 Remote Similarity NPD6881 Approved
0.64 Remote Similarity NPD6899 Approved
0.64 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6397 Remote Similarity NPD6033 Approved
0.6397 Remote Similarity NPD8336 Approved
0.6397 Remote Similarity NPD8337 Approved
0.6378 Remote Similarity NPD6650 Approved
0.6378 Remote Similarity NPD6649 Approved
0.6378 Remote Similarity NPD8130 Phase 1
0.6348 Remote Similarity NPD6903 Approved
0.6348 Remote Similarity NPD7513 Clinical (unspecified phase)
0.632 Remote Similarity NPD5954 Clinical (unspecified phase)
0.632 Remote Similarity NPD5697 Approved
0.632 Remote Similarity NPD5701 Approved
0.632 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6316 Remote Similarity NPD6409 Approved
0.6316 Remote Similarity NPD7334 Approved
0.6316 Remote Similarity NPD5330 Approved
0.6316 Remote Similarity NPD7146 Approved
0.6316 Remote Similarity NPD6684 Approved
0.6316 Remote Similarity NPD7521 Approved
0.6303 Remote Similarity NPD5695 Phase 3
0.6299 Remote Similarity NPD7290 Approved
0.6299 Remote Similarity NPD6883 Approved
0.6299 Remote Similarity NPD7102 Approved
0.6293 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6271 Remote Similarity NPD5778 Approved
0.6271 Remote Similarity NPD5779 Approved
0.6261 Remote Similarity NPD4251 Approved
0.6261 Remote Similarity NPD4250 Approved
0.625 Remote Similarity NPD6847 Approved
0.625 Remote Similarity NPD6617 Approved
0.625 Remote Similarity NPD6869 Approved
0.6228 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6222 Remote Similarity NPD7604 Phase 2
0.622 Remote Similarity NPD6012 Approved
0.622 Remote Similarity NPD6014 Approved
0.622 Remote Similarity NPD6013 Approved
0.6207 Remote Similarity NPD6672 Approved
0.6207 Remote Similarity NPD5737 Approved
0.6194 Remote Similarity NPD5983 Phase 2
0.6187 Remote Similarity NPD8390 Approved
0.6187 Remote Similarity NPD5956 Approved
0.6187 Remote Similarity NPD8392 Approved
0.6187 Remote Similarity NPD8391 Approved
0.6176 Remote Similarity NPD8340 Approved
0.6176 Remote Similarity NPD8299 Approved
0.6176 Remote Similarity NPD8342 Approved
0.6176 Remote Similarity NPD8341 Approved
0.6174 Remote Similarity NPD4249 Approved
0.6174 Remote Similarity NPD3618 Phase 1
0.6154 Remote Similarity NPD5328 Approved
0.6148 Remote Similarity NPD5696 Approved
0.6142 Remote Similarity NPD6011 Approved
0.614 Remote Similarity NPD3666 Approved
0.614 Remote Similarity NPD6400 Clinical (unspecified phase)
0.614 Remote Similarity NPD3665 Phase 1
0.614 Remote Similarity NPD3668 Phase 3
0.614 Remote Similarity NPD3133 Approved
0.6131 Remote Similarity NPD8451 Approved
0.6131 Remote Similarity NPD6336 Discontinued
0.6126 Remote Similarity NPD7645 Phase 2
0.6124 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6116 Remote Similarity NPD7839 Suspended
0.6107 Remote Similarity NPD7625 Phase 1
0.6103 Remote Similarity NPD7830 Approved
0.6103 Remote Similarity NPD7122 Discontinued
0.6103 Remote Similarity NPD7829 Approved
0.6102 Remote Similarity NPD7838 Discovery
0.609 Remote Similarity NPD7641 Discontinued
0.6087 Remote Similarity NPD8448 Approved
0.6071 Remote Similarity NPD6914 Discontinued
0.6066 Remote Similarity NPD4755 Approved
0.6061 Remote Similarity NPD6940 Discontinued
0.6053 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6053 Remote Similarity NPD3669 Approved
0.6053 Remote Similarity NPD7154 Phase 3
0.605 Remote Similarity NPD6079 Approved
0.605 Remote Similarity NPD7637 Suspended
0.6047 Remote Similarity NPD4634 Approved
0.6047 Remote Similarity NPD6371 Approved
0.6033 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6028 Remote Similarity NPD7260 Phase 2
0.6017 Remote Similarity NPD4753 Phase 2
0.6 Remote Similarity NPD4202 Approved
0.6 Remote Similarity NPD7632 Discontinued
0.5986 Remote Similarity NPD6845 Suspended
0.5986 Remote Similarity NPD8338 Approved
0.5983 Remote Similarity NPD7524 Approved
0.5983 Remote Similarity NPD3573 Approved
0.5968 Remote Similarity NPD4696 Approved
0.5968 Remote Similarity NPD5286 Approved
0.5968 Remote Similarity NPD4700 Approved
0.5968 Remote Similarity NPD5285 Approved
0.5965 Remote Similarity NPD4752 Clinical (unspecified phase)
0.5956 Remote Similarity NPD8269 Approved
0.5956 Remote Similarity NPD8266 Approved
0.5956 Remote Similarity NPD8267 Approved
0.5956 Remote Similarity NPD8268 Approved
0.5956 Remote Similarity NPD8444 Approved
0.5956 Remote Similarity NPD6921 Approved
0.594 Remote Similarity NPD6274 Approved
0.5939 Remote Similarity NPD7228 Approved
0.5929 Remote Similarity NPD4695 Discontinued
0.5926 Remote Similarity NPD7101 Approved
0.5926 Remote Similarity NPD7100 Approved
0.592 Remote Similarity NPD5344 Discontinued
0.5917 Remote Similarity NPD5284 Approved
0.5917 Remote Similarity NPD5281 Approved
0.5909 Remote Similarity NPD6942 Approved
0.5909 Remote Similarity NPD7339 Approved
0.5902 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5897 Remote Similarity NPD6098 Approved
0.5897 Remote Similarity NPD5279 Phase 3

Structure

External Identifiers

PubChem CID   90670869
ChEMBL   CHEMBL3235841
ZINC  

Physicochemical Properties

Molecular Weight:  778.41
ALogP:  -3.1054
MLogP:  4.43
XLogP:  2.122
# Rotatable Bonds:  17
Polar Surface Area:  159.06
# H-Bond Aceptor:  14
# H-Bond Donor:  2
# Rings:  8
# Heavy Atoms:  55

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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