Natural Product: NPC59033

Natural Product ID:  NPC59033
Common Name:   Lonijaposide C
IUPAC Name:   5-[(E)-2-[(2S,3R,4S)-5-carboxy-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]ethenyl]-1-(2-hydroxyethyl)pyridin-1-ium-3-carboxylate
Synonyms:   Lonijaposide C
Molecular Formula:   C24H29NO12
Standard InCHIKey:  DXFHNEGQVDLRDO-KBCYOOEFSA-N
Standard InCHI:  InChI=1S/C24H29NO12/c1-2-14-15(4-3-12-7-13(21(31)32)9-25(8-12)5-6-26)16(22(33)34)11-35-23(14)37-24-20(30)19(29)18(28)17(10-27)36-24/h2-4,7-9,11,14-15,17-20,23-24,26-30H,1,5-6,10H2,(H-,31,32,33,34)/b4-3+/t14-,15+,17-,18-,19+,20-,23+,24+/m1/s1
Canonical SMILES:  OCC[n+]1cc(/C=C/[C@H]2[C@@H](C=C)[C@@H](OC=C2C(=O)[O-])O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)cc(c1)C(=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
NPO3699 Acacia aulacocarpa Species Fabaceae Eukaryota UNPD*
NPO3597 Rheedia acuminata Species Clusiaceae Eukaryota UNPD*
NPO8418 Anemone flaccida Species Ranunculaceae Eukaryota UNPD*
NPO7569 Guatteria boliviana Species Annonaceae Eukaryota UNPD*
NPO3853 Aspidosperma subincanum Species Apocynaceae Eukaryota UNPD*
NPO5155 Peritassa compta Species Celastraceae Eukaryota UNPD*
NPO6729 Juniperus brevifolia Species Cupressaceae Eukaryota UNPD*
NPO4823 Psiadia dentata Species Asteraceae Eukaryota UNPD*
NPO6092 Symphyocladia latiuscula Species Rhodomelaceae Eukaryota UNPD*
NPO6237 Cryptocarya aschersoniana Species Lauraceae Eukaryota UNPD*
NPO19948 Neolentinus lepideus Species Gloeophyllaceae Eukaryota UNPD*
NPO5196 Eupatorium argentinum Species Asteraceae Eukaryota UNPD*
NPO471 Ardisia neriifolia Species Primulaceae Eukaryota UNPD*
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition = 69.5 % 18321056

  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 NPC59033 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
0.983 High Similarity NPC329024
0.9775 High Similarity NPC79223
0.9774 High Similarity NPC317672
0.9669 High Similarity NPC25442
0.9669 High Similarity NPC12944
0.9663 High Similarity NPC320748
0.9663 High Similarity NPC324245
0.9563 High Similarity NPC156044
0.9503 High Similarity NPC32451
0.9396 High Similarity NPC328559
0.9309 High Similarity NPC111732
0.8933 High Similarity NPC327373
0.8933 High Similarity NPC325093
0.8833 High Similarity NPC318020
0.8736 High Similarity NPC328798
0.8722 High Similarity NPC322043
0.8689 High Similarity NPC182814
0.8595 High Similarity NPC127647
0.8533 High Similarity NPC325775
0.8497 Intermediate Similarity NPC309498
0.8407 Intermediate Similarity NPC317010
0.8377 Intermediate Similarity NPC160127
0.8377 Intermediate Similarity NPC50997
0.836 Intermediate Similarity NPC20593
0.8 Intermediate Similarity NPC472752
0.7865 Intermediate Similarity NPC263455
0.7854 Intermediate Similarity NPC477910
0.7794 Intermediate Similarity NPC476467
0.7794 Intermediate Similarity NPC472553
0.7772 Intermediate Similarity NPC63041
0.7734 Intermediate Similarity NPC472550
0.7734 Intermediate Similarity NPC48042
0.7734 Intermediate Similarity NPC304179
0.7729 Intermediate Similarity NPC471014
0.7729 Intermediate Similarity NPC475408
0.7692 Intermediate Similarity NPC144779
0.7692 Intermediate Similarity NPC294579
0.7681 Intermediate Similarity NPC470306
0.7656 Intermediate Similarity NPC216428
0.7656 Intermediate Similarity NPC472555
0.7644 Intermediate Similarity NPC6981
0.7644 Intermediate Similarity NPC471016
0.7633 Intermediate Similarity NPC228331
0.7633 Intermediate Similarity NPC319128
0.763 Intermediate Similarity NPC477911
0.7629 Intermediate Similarity NPC75544
0.7621 Intermediate Similarity NPC292517
0.7611 Intermediate Similarity NPC312860
0.7608 Intermediate Similarity NPC62367
0.7583 Intermediate Similarity NPC477912
0.7571 Intermediate Similarity NPC84815
0.7571 Intermediate Similarity NPC301368
0.757 Intermediate Similarity NPC211920
0.757 Intermediate Similarity NPC124029
0.756 Intermediate Similarity NPC206343
0.756 Intermediate Similarity NPC162812
0.756 Intermediate Similarity NPC477908
0.7559 Intermediate Similarity NPC233727
0.7559 Intermediate Similarity NPC477902
0.7523 Intermediate Similarity NPC148860
0.7512 Intermediate Similarity NPC42678
0.7512 Intermediate Similarity NPC477907
0.7512 Intermediate Similarity NPC471980
0.7512 Intermediate Similarity NPC30570
0.7512 Intermediate Similarity NPC477909
0.75 Intermediate Similarity NPC165837
0.7477 Intermediate Similarity NPC328154
0.7477 Intermediate Similarity NPC475137
0.7477 Intermediate Similarity NPC473850
0.7477 Intermediate Similarity NPC475498
0.7472 Intermediate Similarity NPC167400
0.7465 Intermediate Similarity NPC477906
0.7465 Intermediate Similarity NPC127720
0.7465 Intermediate Similarity NPC127026
0.7464 Intermediate Similarity NPC264674
0.7452 Intermediate Similarity NPC323551
0.7452 Intermediate Similarity NPC280473
0.7449 Intermediate Similarity NPC44354
0.7442 Intermediate Similarity NPC473506
0.743 Intermediate Similarity NPC250807
0.743 Intermediate Similarity NPC76565
0.743 Intermediate Similarity NPC57797
0.7429 Intermediate Similarity NPC207531
0.7418 Intermediate Similarity NPC107287
0.7416 Intermediate Similarity NPC51008
0.7416 Intermediate Similarity NPC41724
0.7407 Intermediate Similarity NPC273532
0.7407 Intermediate Similarity NPC475601
0.7407 Intermediate Similarity NPC249614
0.7404 Intermediate Similarity NPC470189
0.7404 Intermediate Similarity NPC40919
0.7396 Intermediate Similarity NPC164340
0.7389 Intermediate Similarity NPC155792
0.7385 Intermediate Similarity NPC150698
0.7385 Intermediate Similarity NPC96801
0.7381 Intermediate Similarity NPC4421
0.7374 Intermediate Similarity NPC114974
0.7373 Intermediate Similarity NPC475644
0.7373 Intermediate Similarity NPC471190
0.7373 Intermediate Similarity NPC475362
0.7373 Intermediate Similarity NPC470486
0.7373 Intermediate Similarity NPC471977
0.7366 Intermediate Similarity NPC289086
0.7364 Intermediate Similarity NPC170751
0.7358 Intermediate Similarity NPC319556
0.7352 Intermediate Similarity NPC469748
0.7351 Intermediate Similarity NPC113812
0.7346 Intermediate Similarity NPC193361
0.7346 Intermediate Similarity NPC62844
0.7343 Intermediate Similarity NPC470190
0.7327 Intermediate Similarity NPC475631
0.7327 Intermediate Similarity NPC328186
0.7327 Intermediate Similarity NPC122968
0.7327 Intermediate Similarity NPC228377
0.7327 Intermediate Similarity NPC477787
0.7327 Intermediate Similarity NPC475600
0.7327 Intermediate Similarity NPC476110
0.7327 Intermediate Similarity NPC87152
0.7327 Intermediate Similarity NPC146824
0.7318 Intermediate Similarity NPC159630
0.7318 Intermediate Similarity NPC230085
0.7313 Intermediate Similarity NPC109922
0.7297 Intermediate Similarity NPC138018
0.7295 Intermediate Similarity NPC475835
0.7277 Intermediate Similarity NPC75600
0.7277 Intermediate Similarity NPC187494
0.7277 Intermediate Similarity NPC212768
0.7277 Intermediate Similarity NPC6576
0.7277 Intermediate Similarity NPC473115
0.7277 Intermediate Similarity NPC473089
0.7277 Intermediate Similarity NPC158020
0.7273 Intermediate Similarity NPC30456
0.7256 Intermediate Similarity NPC477903
0.7256 Intermediate Similarity NPC253314
0.7245 Intermediate Similarity NPC207851
0.724 Intermediate Similarity NPC237702
0.7235 Intermediate Similarity NPC26881
0.7227 Intermediate Similarity NPC316841
0.7227 Intermediate Similarity NPC473689
0.7227 Intermediate Similarity NPC475596
0.7227 Intermediate Similarity NPC292416
0.7227 Intermediate Similarity NPC475303
0.7222 Intermediate Similarity NPC235364
0.7209 Intermediate Similarity NPC477901
0.7207 Intermediate Similarity NPC475426
0.7207 Intermediate Similarity NPC327769
0.7207 Intermediate Similarity NPC35208
0.7204 Intermediate Similarity NPC244856
0.7198 Intermediate Similarity NPC112741
0.7195 Intermediate Similarity NPC320324
0.7195 Intermediate Similarity NPC244839
0.7195 Intermediate Similarity NPC319880
0.7178 Intermediate Similarity NPC135950
0.7169 Intermediate Similarity NPC14116
0.7169 Intermediate Similarity NPC285411
0.7162 Intermediate Similarity NPC238278
0.7156 Intermediate Similarity NPC477900
0.7156 Intermediate Similarity NPC477899
0.7143 Intermediate Similarity NPC477788
0.7143 Intermediate Similarity NPC474217
0.7136 Intermediate Similarity NPC134384
0.7136 Intermediate Similarity NPC311196
0.713 Intermediate Similarity NPC475406
0.7122 Intermediate Similarity NPC103361
0.712 Intermediate Similarity NPC319456
0.7104 Intermediate Similarity NPC91125
0.7103 Intermediate Similarity NPC476114
0.7098 Intermediate Similarity NPC57453
0.7098 Intermediate Similarity NPC327904
0.7098 Intermediate Similarity NPC38959
0.709 Intermediate Similarity NPC71079
0.7089 Intermediate Similarity NPC236424
0.7089 Intermediate Similarity NPC306644
0.708 Intermediate Similarity NPC253482
0.7074 Intermediate Similarity NPC475533
0.7056 Intermediate Similarity NPC274842
0.7043 Intermediate Similarity NPC475315
0.7043 Intermediate Similarity NPC324619
0.7031 Intermediate Similarity NPC180668
0.7031 Intermediate Similarity NPC476090
0.7031 Intermediate Similarity NPC471013
0.7031 Intermediate Similarity NPC148896
0.7016 Intermediate Similarity NPC85918
0.7009 Intermediate Similarity NPC472435
0.6995 Remote Similarity NPC471546
0.6995 Remote Similarity NPC56170
0.6987 Remote Similarity NPC475648
0.6986 Remote Similarity NPC476115
0.6979 Remote Similarity NPC278366
0.6979 Remote Similarity NPC127730
0.6966 Remote Similarity NPC471015
0.6964 Remote Similarity NPC213143
0.6959 Remote Similarity NPC82070
0.6957 Remote Similarity NPC123395
0.6957 Remote Similarity NPC474767
0.6955 Remote Similarity NPC475271
0.695 Remote Similarity NPC133591
0.6939 Remote Similarity NPC476419
0.6936 Remote Similarity NPC478045
0.692 Remote Similarity NPC472436

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC59033 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
0.8071 Intermediate Similarity NPD7396 Approved
0.7672 Intermediate Similarity NPD8304 Clinical (unspecified phase)
0.7582 Intermediate Similarity NPD820 Phase 3
0.75 Intermediate Similarity NPD485 Clinical (unspecified phase)
0.7472 Intermediate Similarity NPD9074 Approved
0.7472 Intermediate Similarity NPD9075 Approved
0.7247 Intermediate Similarity NPD107 Approved
0.7198 Intermediate Similarity NPD9271 Approved
0.715 Intermediate Similarity NPD2544 Clinical (unspecified phase)
0.715 Intermediate Similarity NPD8326 Phase 3
0.715 Intermediate Similarity NPD8327 Clinical (unspecified phase)
0.715 Intermediate Similarity NPD8325 Phase 3
0.7149 Intermediate Similarity NPD8468 Phase 2
0.7062 Intermediate Similarity NPD6529 Discontinued
0.7053 Intermediate Similarity NPD5088 Discontinued
0.701 Intermediate Similarity NPD5975 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD3794 Approved
0.7009 Intermediate Similarity NPD3795 Approved
0.6952 Remote Similarity NPD2831 Approved
0.6851 Remote Similarity NPD203 Clinical (unspecified phase)
0.6818 Remote Similarity NPD8479 Phase 2
0.6818 Remote Similarity NPD3280 Approved
0.6816 Remote Similarity NPD5640 Discontinued
0.6816 Remote Similarity NPD1096 Discontinued
0.6808 Remote Similarity NPD3371 Approved
0.68 Remote Similarity NPD1783 Clinical (unspecified phase)
0.6787 Remote Similarity NPD6298 Discontinued
0.6786 Remote Similarity NPD4086 Phase 1
0.678 Remote Similarity NPD2336 Approved
0.675 Remote Similarity NPD9510 Approved
0.672 Remote Similarity NPD5965 Clinical (unspecified phase)
0.6712 Remote Similarity NPD4301 Approved
0.6696 Remote Similarity NPD8372 Clinical (unspecified phase)
0.6681 Remote Similarity NPD8370 Discontinued
0.6667 Remote Similarity NPD6665 Discontinued
0.6667 Remote Similarity NPD4376 Phase 3
0.6667 Remote Similarity NPD2121 Clinical (unspecified phase)
0.6651 Remote Similarity NPD2307 Discontinued
0.665 Remote Similarity NPD3321 Discontinued
0.665 Remote Similarity NPD6641 Approved
0.665 Remote Similarity NPD8063 Discontinued
0.665 Remote Similarity NPD6642 Approved
0.6636 Remote Similarity NPD3947 Discontinued
0.6635 Remote Similarity NPD4526 Approved
0.6635 Remote Similarity NPD4528 Approved
0.6635 Remote Similarity NPD1173 Approved
0.6635 Remote Similarity NPD4529 Approved
0.6623 Remote Similarity NPD8409 Suspended
0.662 Remote Similarity NPD5721 Clinical (unspecified phase)
0.6612 Remote Similarity NPD9506 Approved
0.6606 Remote Similarity NPD4417 Approved
0.6606 Remote Similarity NPD4989 Phase 2
0.6605 Remote Similarity NPD6732 Clinical (unspecified phase)
0.6598 Remote Similarity NPD2511 Approved
0.6584 Remote Similarity NPD1643 Phase 3
0.6581 Remote Similarity NPD1483 Discontinued
0.6577 Remote Similarity NPD6578 Clinical (unspecified phase)
0.6577 Remote Similarity NPD7878 Phase 2
0.6576 Remote Similarity NPD2896 Discontinued
0.6567 Remote Similarity NPD7886 Phase 2
0.6567 Remote Similarity NPD7885 Phase 2
0.6561 Remote Similarity NPD3394 Approved
0.6561 Remote Similarity NPD3389 Approved
0.6561 Remote Similarity NPD3393 Approved
0.6556 Remote Similarity NPD8373 Clinical (unspecified phase)
0.6553 Remote Similarity NPD9364 Phase 2
0.6553 Remote Similarity NPD9363 Approved
0.6553 Remote Similarity NPD4948 Discontinued
0.655 Remote Similarity NPD5322 Clinical (unspecified phase)
0.6548 Remote Similarity NPD4174 Clinical (unspecified phase)
0.6547 Remote Similarity NPD6770 Approved
0.6544 Remote Similarity NPD2510 Approved
0.6544 Remote Similarity NPD2509 Approved
0.6526 Remote Similarity NPD4396 Clinical (unspecified phase)
0.6526 Remote Similarity NPD4491 Clinical (unspecified phase)
0.6524 Remote Similarity NPD4427 Phase 2
0.6522 Remote Similarity NPD4021 Phase 2
0.6516 Remote Similarity NPD5148 Clinical (unspecified phase)
0.6516 Remote Similarity NPD5149 Phase 2
0.6509 Remote Similarity NPD5891 Approved
0.6509 Remote Similarity NPD7777 Approved
0.6509 Remote Similarity NPD7778 Approved
0.6509 Remote Similarity NPD53 Approved
0.6509 Remote Similarity NPD3006 Discontinued
0.6507 Remote Similarity NPD5317 Clinical (unspecified phase)
0.65 Remote Similarity NPD6657 Clinical (unspecified phase)
0.6495 Remote Similarity NPD9382 Approved
0.6495 Remote Similarity NPD9383 Approved
0.6495 Remote Similarity NPD3911 Approved
0.6493 Remote Similarity NPD7061 Clinical (unspecified phase)
0.6489 Remote Similarity NPD751 Clinical (unspecified phase)
0.6489 Remote Similarity NPD3813 Approved
0.6484 Remote Similarity NPD4900 Clinical (unspecified phase)
0.6471 Remote Similarity NPD4805 Approved
0.6471 Remote Similarity NPD9362 Approved
0.6471 Remote Similarity NPD3178 Discontinued
0.6462 Remote Similarity NPD5255 Approved
0.646 Remote Similarity NPD8356 Approved
0.6459 Remote Similarity NPD1977 Clinical (unspecified phase)
0.6455 Remote Similarity NPD5475 Discontinued
0.6453 Remote Similarity NPD8036 Clinical (unspecified phase)
0.6453 Remote Similarity NPD8037 Clinical (unspecified phase)
0.6438 Remote Similarity NPD4506 Discontinued
0.6438 Remote Similarity NPD5583 Clinical (unspecified phase)
0.6417 Remote Similarity NPD6525 Clinical (unspecified phase)
0.6417 Remote Similarity NPD1649 Discontinued
0.6413 Remote Similarity NPD5490 Discontinued
0.6411 Remote Similarity NPD4081 Clinical (unspecified phase)
0.6406 Remote Similarity NPD5901 Discontinued
0.6404 Remote Similarity NPD5751 Clinical (unspecified phase)
0.6392 Remote Similarity NPD2809 Approved
0.6389 Remote Similarity NPD9284 Approved
0.6387 Remote Similarity NPD1270 Approved
0.6376 Remote Similarity NPD8289 Discontinued
0.6376 Remote Similarity NPD7426 Phase 1
0.6376 Remote Similarity NPD7001 Phase 3
0.6372 Remote Similarity NPD5228 Phase 3
0.6364 Remote Similarity NPD5022 Discontinued
0.6364 Remote Similarity NPD4804 Approved
0.6356 Remote Similarity NPD1926 Approved
0.6355 Remote Similarity NPD4987 Clinical (unspecified phase)
0.6348 Remote Similarity NPD8430 Approved
0.6345 Remote Similarity NPD9398 Clinical (unspecified phase)
0.6344 Remote Similarity NPD4923 Phase 1
0.6341 Remote Similarity NPD1618 Phase 2
0.6332 Remote Similarity NPD3925 Approved
0.633 Remote Similarity NPD4034 Approved
0.633 Remote Similarity NPD944 Approved
0.633 Remote Similarity NPD6987 Phase 1
0.633 Remote Similarity NPD4037 Approved
0.633 Remote Similarity NPD31 Approved
0.633 Remote Similarity NPD4038 Approved
0.633 Remote Similarity NPD4033 Approved
0.633 Remote Similarity NPD32 Approved
0.633 Remote Similarity NPD4039 Approved
0.633 Remote Similarity NPD4122 Approved
0.633 Remote Similarity NPD4036 Approved
0.633 Remote Similarity NPD4035 Approved
0.6327 Remote Similarity NPD2581 Approved
0.6327 Remote Similarity NPD7404 Approved
0.6327 Remote Similarity NPD2582 Approved
0.6324 Remote Similarity NPD272 Approved
0.6318 Remote Similarity NPD7467 Discontinued
0.6316 Remote Similarity NPD8021 Approved
0.6316 Remote Similarity NPD8020 Approved
0.631 Remote Similarity NPD1380 Discovery
0.6309 Remote Similarity NPD7031 Phase 1
0.6301 Remote Similarity NPD4901 Clinical (unspecified phase)
0.6301 Remote Similarity NPD7010 Phase 3
0.6298 Remote Similarity NPD3082 Discontinued
0.6298 Remote Similarity NPD9080 Approved
0.6293 Remote Similarity NPD5801 Clinical (unspecified phase)
0.6292 Remote Similarity NPD8375 Approved
0.6289 Remote Similarity NPD510 Phase 1
0.6286 Remote Similarity NPD7233 Approved
0.6286 Remote Similarity NPD7234 Approved
0.6284 Remote Similarity NPD5513 Phase 2
0.6283 Remote Similarity NPD1623 Approved
0.6281 Remote Similarity NPD6635 Approved
0.6278 Remote Similarity NPD7069 Discontinued
0.6274 Remote Similarity NPD6569 Phase 2
0.6274 Remote Similarity NPD981 Phase 2
0.6269 Remote Similarity NPD5862 Discovery
0.6268 Remote Similarity NPD4375 Approved
0.6262 Remote Similarity NPD5898 Approved
0.6262 Remote Similarity NPD5897 Approved
0.6262 Remote Similarity NPD5899 Approved
0.6261 Remote Similarity NPD7576 Discontinued
0.6256 Remote Similarity NPD6182 Approved
0.6256 Remote Similarity NPD6955 Clinical (unspecified phase)
0.6256 Remote Similarity NPD6183 Clinical (unspecified phase)
0.6256 Remote Similarity NPD43 Approved
0.6256 Remote Similarity NPD4903 Approved
0.6256 Remote Similarity NPD4906 Approved
0.6256 Remote Similarity NPD4905 Approved
0.625 Remote Similarity NPD6661 Clinical (unspecified phase)
0.625 Remote Similarity NPD721 Approved
0.625 Remote Similarity NPD3569 Discontinued
0.6244 Remote Similarity NPD1032 Phase 2
0.6244 Remote Similarity NPD6361 Phase 2
0.624 Remote Similarity NPD6351 Discovery
0.624 Remote Similarity NPD8371 Clinical (unspecified phase)
0.6239 Remote Similarity NPD6477 Clinical (unspecified phase)
0.6234 Remote Similarity NPD6716 Phase 1
0.6233 Remote Similarity NPD3779 Clinical (unspecified phase)
0.6233 Remote Similarity NPD7927 Clinical (unspecified phase)
0.623 Remote Similarity NPD1352 Discontinued
0.6228 Remote Similarity NPD1996 Discontinued
0.6227 Remote Similarity NPD4904 Approved
0.6222 Remote Similarity NPD4667 Clinical (unspecified phase)
0.6222 Remote Similarity NPD5417 Clinical (unspecified phase)
0.6221 Remote Similarity NPD4500 Approved
0.6221 Remote Similarity NPD4501 Approved
0.622 Remote Similarity NPD4889 Approved
0.622 Remote Similarity NPD2814 Clinical (unspecified phase)
0.6211 Remote Similarity NPD1382 Phase 2
0.6211 Remote Similarity NPD1383 Phase 3
0.6209 Remote Similarity NPD1657 Approved
0.6209 Remote Similarity NPD6068 Discontinued
0.6207 Remote Similarity NPD2123 Phase 3

Structure

External Identifiers

PubChem CID   24879106
ChEMBL   CHEMBL515693
ZINC  

Physicochemical Properties

Molecular Weight:  523.17
ALogP:  -4.778
MLogP:  2.67
XLogP:  -0.982
# Rotatable Bonds:  17
Polar Surface Area:  210.15
# H-Bond Aceptor:  12
# H-Bond Donor:  6
# Rings:  3
# Heavy Atoms:  37

Download Data

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