Natural Product: NPC79223

Natural Product ID:  NPC79223
Common Name:   Lonijaposide B
IUPAC Name:   5-[(E)-2-[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-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:  
Molecular Formula:   C25H31NO12
Standard InCHIKey:  FPYKDTSNMCSLIB-ZHDNQQBJSA-N
Standard InCHI:  InChI=1S/C25H31NO12/c1-3-15-16(5-4-13-8-14(22(32)33)10-26(9-13)6-7-27)17(23(34)35-2)12-36-24(15)38-25-21(31)20(30)19(29)18(11-28)37-25/h3-5,8-10,12,15-16,18-21,24-25,27-31H,1,6-7,11H2,2H3/b5-4+/t15-,16+,18-,19-,20+,21-,24+,25+/m1/s1
Canonical SMILES:  OCC[n+]1cc(/C=C/[C@H]2[C@@H](C=C)[C@@H](OC=C2C(=O)OC)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
NPO3853 Aspidosperma subincanum Species Apocynaceae Eukaryota UNPD*
NPO8418 Anemone flaccida Species Ranunculaceae Eukaryota UNPD*
NPO4823 Psiadia dentata Species Asteraceae Eukaryota UNPD*
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota UNPD*
NPO5196 Eupatorium argentinum Species Asteraceae Eukaryota UNPD*
NPO471 Ardisia neriifolia Species Primulaceae Eukaryota UNPD*
NPO6729 Juniperus brevifolia Species Cupressaceae Eukaryota UNPD*
NPO3597 Rheedia acuminata Species Clusiaceae Eukaryota UNPD*
NPO6237 Cryptocarya aschersoniana Species Lauraceae Eukaryota UNPD*
NPO5155 Peritassa compta Species Celastraceae Eukaryota UNPD*
NPO7569 Guatteria boliviana Species Annonaceae Eukaryota UNPD*
NPO6092 Symphyocladia latiuscula Species Rhodomelaceae Eukaryota UNPD*
NPO3699 Acacia aulacocarpa Species Fabaceae Eukaryota UNPD*
NPO19948 Neolentinus lepideus Species Gloeophyllaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition = 35.8 % 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 NPC79223 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
0.9887 High Similarity NPC324245
0.9887 High Similarity NPC320748
0.9775 High Similarity NPC59033
0.9722 High Similarity NPC32451
0.9719 High Similarity NPC329024
0.9672 High Similarity NPC156044
0.9613 High Similarity NPC328559
0.9563 High Similarity NPC12944
0.9563 High Similarity NPC25442
0.9556 High Similarity NPC317672
0.911 High Similarity NPC111732
0.895 High Similarity NPC328798
0.8833 High Similarity NPC327373
0.8833 High Similarity NPC325093
0.8804 High Similarity NPC127647
0.8743 High Similarity NPC325775
0.8736 High Similarity NPC318020
0.8696 High Similarity NPC182814
0.8626 High Similarity NPC322043
0.8601 High Similarity NPC309498
0.8216 Intermediate Similarity NPC317010
0.8196 Intermediate Similarity NPC160127
0.8196 Intermediate Similarity NPC50997
0.8191 Intermediate Similarity NPC472752
0.8177 Intermediate Similarity NPC20593
0.8039 Intermediate Similarity NPC477910
0.798 Intermediate Similarity NPC476467
0.798 Intermediate Similarity NPC472553
0.796 Intermediate Similarity NPC63041
0.7921 Intermediate Similarity NPC48042
0.7921 Intermediate Similarity NPC472550
0.7921 Intermediate Similarity NPC304179
0.7913 Intermediate Similarity NPC475408
0.7913 Intermediate Similarity NPC471014
0.7874 Intermediate Similarity NPC144779
0.7874 Intermediate Similarity NPC294579
0.7864 Intermediate Similarity NPC470306
0.7837 Intermediate Similarity NPC472555
0.7826 Intermediate Similarity NPC471016
0.7826 Intermediate Similarity NPC6981
0.7816 Intermediate Similarity NPC319128
0.7816 Intermediate Similarity NPC228331
0.781 Intermediate Similarity NPC477911
0.7788 Intermediate Similarity NPC62367
0.7778 Intermediate Similarity NPC263455
0.7762 Intermediate Similarity NPC477912
0.7751 Intermediate Similarity NPC301368
0.7751 Intermediate Similarity NPC84815
0.7751 Intermediate Similarity NPC216428
0.7746 Intermediate Similarity NPC211920
0.7746 Intermediate Similarity NPC124029
0.774 Intermediate Similarity NPC477908
0.774 Intermediate Similarity NPC206343
0.7736 Intermediate Similarity NPC477902
0.7736 Intermediate Similarity NPC233727
0.7718 Intermediate Similarity NPC292517
0.77 Intermediate Similarity NPC148860
0.7692 Intermediate Similarity NPC477907
0.7692 Intermediate Similarity NPC477909
0.7692 Intermediate Similarity NPC42678
0.7689 Intermediate Similarity NPC471980
0.7681 Intermediate Similarity NPC165837
0.7656 Intermediate Similarity NPC162812
0.7653 Intermediate Similarity NPC473850
0.7653 Intermediate Similarity NPC475137
0.7653 Intermediate Similarity NPC328154
0.7653 Intermediate Similarity NPC475498
0.7644 Intermediate Similarity NPC264674
0.7642 Intermediate Similarity NPC127720
0.7642 Intermediate Similarity NPC127026
0.7639 Intermediate Similarity NPC477906
0.7633 Intermediate Similarity NPC280473
0.7633 Intermediate Similarity NPC323551
0.7624 Intermediate Similarity NPC107287
0.7617 Intermediate Similarity NPC473506
0.7608 Intermediate Similarity NPC30570
0.7608 Intermediate Similarity NPC207531
0.7606 Intermediate Similarity NPC249614
0.7606 Intermediate Similarity NPC57797
0.7606 Intermediate Similarity NPC76565
0.7606 Intermediate Similarity NPC250807
0.7596 Intermediate Similarity NPC51008
0.7596 Intermediate Similarity NPC41724
0.7585 Intermediate Similarity NPC470189
0.7585 Intermediate Similarity NPC40919
0.7581 Intermediate Similarity NPC475601
0.756 Intermediate Similarity NPC4421
0.7558 Intermediate Similarity NPC96801
0.7558 Intermediate Similarity NPC150698
0.7551 Intermediate Similarity NPC44354
0.7549 Intermediate Similarity NPC289086
0.7546 Intermediate Similarity NPC475362
0.7546 Intermediate Similarity NPC470486
0.7546 Intermediate Similarity NPC475644
0.7546 Intermediate Similarity NPC471190
0.7546 Intermediate Similarity NPC471977
0.7536 Intermediate Similarity NPC319556
0.7534 Intermediate Similarity NPC170751
0.7527 Intermediate Similarity NPC312860
0.7524 Intermediate Similarity NPC470190
0.7524 Intermediate Similarity NPC193361
0.7524 Intermediate Similarity NPC62844
0.7523 Intermediate Similarity NPC469748
0.75 Intermediate Similarity NPC475600
0.75 Intermediate Similarity NPC146824
0.75 Intermediate Similarity NPC476110
0.75 Intermediate Similarity NPC475631
0.75 Intermediate Similarity NPC109922
0.75 Intermediate Similarity NPC87152
0.75 Intermediate Similarity NPC228377
0.75 Intermediate Similarity NPC328186
0.75 Intermediate Similarity NPC122968
0.75 Intermediate Similarity NPC477787
0.7476 Intermediate Similarity NPC475835
0.7462 Intermediate Similarity NPC75544
0.7453 Intermediate Similarity NPC6576
0.7453 Intermediate Similarity NPC187494
0.7453 Intermediate Similarity NPC212768
0.7453 Intermediate Similarity NPC473089
0.7453 Intermediate Similarity NPC473115
0.7453 Intermediate Similarity NPC158020
0.7453 Intermediate Similarity NPC75600
0.7443 Intermediate Similarity NPC30456
0.743 Intermediate Similarity NPC477903
0.7409 Intermediate Similarity NPC237702
0.7407 Intermediate Similarity NPC26881
0.7403 Intermediate Similarity NPC112741
0.7397 Intermediate Similarity NPC473689
0.7397 Intermediate Similarity NPC316841
0.7397 Intermediate Similarity NPC292416
0.7397 Intermediate Similarity NPC475303
0.7397 Intermediate Similarity NPC475596
0.7395 Intermediate Similarity NPC235364
0.7383 Intermediate Similarity NPC477901
0.7376 Intermediate Similarity NPC475426
0.7376 Intermediate Similarity NPC35208
0.7376 Intermediate Similarity NPC327769
0.7364 Intermediate Similarity NPC319880
0.7364 Intermediate Similarity NPC244839
0.7364 Intermediate Similarity NPC320324
0.7363 Intermediate Similarity NPC135950
0.7339 Intermediate Similarity NPC285411
0.7339 Intermediate Similarity NPC14116
0.7333 Intermediate Similarity NPC159630
0.7333 Intermediate Similarity NPC230085
0.733 Intermediate Similarity NPC238278
0.7327 Intermediate Similarity NPC477900
0.7327 Intermediate Similarity NPC477899
0.7317 Intermediate Similarity NPC155792
0.7315 Intermediate Similarity NPC477788
0.7306 Intermediate Similarity NPC311196
0.7306 Intermediate Similarity NPC134384
0.7304 Intermediate Similarity NPC103361
0.73 Intermediate Similarity NPC114974
0.7299 Intermediate Similarity NPC244856
0.7297 Intermediate Similarity NPC475406
0.7293 Intermediate Similarity NPC167400
0.7273 Intermediate Similarity NPC91125
0.7265 Intermediate Similarity NPC327904
0.7265 Intermediate Similarity NPC38959
0.7264 Intermediate Similarity NPC236424
0.7264 Intermediate Similarity NPC306644
0.7244 Intermediate Similarity NPC253482
0.724 Intermediate Similarity NPC273532
0.7237 Intermediate Similarity NPC475533
0.7231 Intermediate Similarity NPC164340
0.723 Intermediate Similarity NPC274842
0.7205 Intermediate Similarity NPC324619
0.7205 Intermediate Similarity NPC475315
0.7193 Intermediate Similarity NPC476090
0.7193 Intermediate Similarity NPC180668
0.7193 Intermediate Similarity NPC148896
0.7193 Intermediate Similarity NPC471013
0.7189 Intermediate Similarity NPC253314
0.7188 Intermediate Similarity NPC57453
0.7181 Intermediate Similarity NPC113812
0.7178 Intermediate Similarity NPC471546
0.7167 Intermediate Similarity NPC472435
0.7158 Intermediate Similarity NPC474217
0.7149 Intermediate Similarity NPC475648
0.7136 Intermediate Similarity NPC123395
0.713 Intermediate Similarity NPC213143
0.713 Intermediate Similarity NPC82070
0.7128 Intermediate Similarity NPC138018
0.7124 Intermediate Similarity NPC471015
0.7123 Intermediate Similarity NPC475271
0.7105 Intermediate Similarity NPC71079
0.7085 Intermediate Similarity NPC207851
0.7076 Intermediate Similarity NPC472436
0.7069 Intermediate Similarity NPC10904
0.7031 Intermediate Similarity NPC85918
0.7026 Intermediate Similarity NPC191310
0.7021 Intermediate Similarity NPC85879
0.7021 Intermediate Similarity NPC475301
0.7021 Intermediate Similarity NPC326930
0.7021 Intermediate Similarity NPC478045
0.7021 Intermediate Similarity NPC53255
0.7018 Intermediate Similarity NPC52254
0.6995 Remote Similarity NPC278366
0.6995 Remote Similarity NPC127730

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC79223 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
0.8173 Intermediate Similarity NPD7396 Approved
0.7872 Intermediate Similarity NPD8304 Clinical (unspecified phase)
0.779 Intermediate Similarity NPD820 Phase 3
0.7701 Intermediate Similarity NPD485 Clinical (unspecified phase)
0.7403 Intermediate Similarity NPD9271 Approved
0.7324 Intermediate Similarity NPD8327 Clinical (unspecified phase)
0.7324 Intermediate Similarity NPD8325 Phase 3
0.7324 Intermediate Similarity NPD8326 Phase 3
0.7313 Intermediate Similarity NPD8468 Phase 2
0.7293 Intermediate Similarity NPD9074 Approved
0.7293 Intermediate Similarity NPD9075 Approved
0.7167 Intermediate Similarity NPD107 Approved
0.7156 Intermediate Similarity NPD6529 Discontinued
0.7129 Intermediate Similarity NPD2831 Approved
0.7103 Intermediate Similarity NPD3795 Approved
0.7103 Intermediate Similarity NPD3794 Approved
0.7079 Intermediate Similarity NPD2544 Clinical (unspecified phase)
0.6986 Remote Similarity NPD8479 Phase 2
0.6979 Remote Similarity NPD5088 Discontinued
0.6955 Remote Similarity NPD6298 Discontinued
0.6942 Remote Similarity NPD5975 Clinical (unspecified phase)
0.6909 Remote Similarity NPD3280 Approved
0.6906 Remote Similarity NPD5640 Discontinued
0.6901 Remote Similarity NPD3371 Approved
0.6829 Remote Similarity NPD8063 Discontinued
0.6808 Remote Similarity NPD3947 Discontinued
0.6802 Remote Similarity NPD4301 Approved
0.6783 Remote Similarity NPD8409 Suspended
0.6774 Remote Similarity NPD4417 Approved
0.6763 Remote Similarity NPD4376 Phase 3
0.6761 Remote Similarity NPD2121 Clinical (unspecified phase)
0.675 Remote Similarity NPD6642 Approved
0.675 Remote Similarity NPD6641 Approved
0.6749 Remote Similarity NPD1096 Discontinued
0.6733 Remote Similarity NPD1783 Clinical (unspecified phase)
0.6731 Remote Similarity NPD4528 Approved
0.6731 Remote Similarity NPD4526 Approved
0.6731 Remote Similarity NPD4529 Approved
0.6726 Remote Similarity NPD4086 Phase 1
0.6724 Remote Similarity NPD7886 Phase 2
0.6724 Remote Similarity NPD7885 Phase 2
0.6715 Remote Similarity NPD2336 Approved
0.6713 Remote Similarity NPD2509 Approved
0.6713 Remote Similarity NPD2510 Approved
0.6712 Remote Similarity NPD6770 Approved
0.6711 Remote Similarity NPD8372 Clinical (unspecified phase)
0.6685 Remote Similarity NPD203 Clinical (unspecified phase)
0.6683 Remote Similarity NPD9510 Approved
0.6682 Remote Similarity NPD5149 Phase 2
0.6682 Remote Similarity NPD5148 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5891 Approved
0.6667 Remote Similarity NPD3006 Discontinued
0.6667 Remote Similarity NPD7061 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1483 Discontinued
0.6652 Remote Similarity NPD3394 Approved
0.6652 Remote Similarity NPD3389 Approved
0.6652 Remote Similarity NPD3393 Approved
0.6651 Remote Similarity NPD4900 Clinical (unspecified phase)
0.6636 Remote Similarity NPD5721 Clinical (unspecified phase)
0.6635 Remote Similarity NPD1977 Clinical (unspecified phase)
0.6625 Remote Similarity NPD8370 Discontinued
0.6622 Remote Similarity NPD4989 Phase 2
0.662 Remote Similarity NPD4396 Clinical (unspecified phase)
0.662 Remote Similarity NPD4491 Clinical (unspecified phase)
0.6615 Remote Similarity NPD2511 Approved
0.6606 Remote Similarity NPD4506 Discontinued
0.6606 Remote Similarity NPD5583 Clinical (unspecified phase)
0.6592 Remote Similarity NPD6578 Clinical (unspecified phase)
0.6591 Remote Similarity NPD6657 Clinical (unspecified phase)
0.6589 Remote Similarity NPD3911 Approved
0.6588 Remote Similarity NPD2307 Discontinued
0.6587 Remote Similarity NPD4081 Clinical (unspecified phase)
0.6587 Remote Similarity NPD3321 Discontinued
0.657 Remote Similarity NPD8373 Clinical (unspecified phase)
0.6566 Remote Similarity NPD4174 Clinical (unspecified phase)
0.6562 Remote Similarity NPD5965 Clinical (unspecified phase)
0.6545 Remote Similarity NPD5475 Discontinued
0.654 Remote Similarity NPD4427 Phase 2
0.6538 Remote Similarity NPD4021 Phase 2
0.6535 Remote Similarity NPD8289 Discontinued
0.6526 Remote Similarity NPD4987 Clinical (unspecified phase)
0.6524 Remote Similarity NPD6665 Discontinued
0.6522 Remote Similarity NPD5022 Discontinued
0.652 Remote Similarity NPD1643 Phase 3
0.6518 Remote Similarity NPD7878 Phase 2
0.6513 Remote Similarity NPD2581 Approved
0.6513 Remote Similarity NPD2582 Approved
0.6508 Remote Similarity NPD751 Clinical (unspecified phase)
0.6505 Remote Similarity NPD2896 Discontinued
0.6504 Remote Similarity NPD4923 Phase 1
0.6502 Remote Similarity NPD5751 Clinical (unspecified phase)
0.65 Remote Similarity NPD6525 Clinical (unspecified phase)
0.6493 Remote Similarity NPD1173 Approved
0.649 Remote Similarity NPD9364 Phase 2
0.649 Remote Similarity NPD9363 Approved
0.6489 Remote Similarity NPD4805 Approved
0.6488 Remote Similarity NPD9362 Approved
0.6485 Remote Similarity NPD5322 Clinical (unspecified phase)
0.6484 Remote Similarity NPD7467 Discontinued
0.6471 Remote Similarity NPD8036 Clinical (unspecified phase)
0.6471 Remote Similarity NPD8037 Clinical (unspecified phase)
0.6468 Remote Similarity NPD7010 Phase 3
0.6468 Remote Similarity NPD6732 Clinical (unspecified phase)
0.6465 Remote Similarity NPD5228 Phase 3
0.6463 Remote Similarity NPD7426 Phase 1
0.6452 Remote Similarity NPD9506 Approved
0.6449 Remote Similarity NPD7777 Approved
0.6449 Remote Similarity NPD7778 Approved
0.6449 Remote Similarity NPD53 Approved
0.6445 Remote Similarity NPD5317 Clinical (unspecified phase)
0.6444 Remote Similarity NPD1926 Approved
0.6444 Remote Similarity NPD1623 Approved
0.6441 Remote Similarity NPD7069 Discontinued
0.6429 Remote Similarity NPD9383 Approved
0.6429 Remote Similarity NPD9382 Approved
0.6422 Remote Similarity NPD32 Approved
0.6422 Remote Similarity NPD4037 Approved
0.6422 Remote Similarity NPD4038 Approved
0.6422 Remote Similarity NPD4034 Approved
0.6422 Remote Similarity NPD4033 Approved
0.6422 Remote Similarity NPD4039 Approved
0.6422 Remote Similarity NPD4035 Approved
0.6422 Remote Similarity NPD4122 Approved
0.6422 Remote Similarity NPD4036 Approved
0.6422 Remote Similarity NPD31 Approved
0.6419 Remote Similarity NPD3925 Approved
0.6416 Remote Similarity NPD7404 Approved
0.6416 Remote Similarity NPD6955 Clinical (unspecified phase)
0.6411 Remote Similarity NPD4948 Discontinued
0.6408 Remote Similarity NPD3178 Discontinued
0.6406 Remote Similarity NPD1270 Approved
0.6404 Remote Similarity NPD8356 Approved
0.6396 Remote Similarity NPD5255 Approved
0.6395 Remote Similarity NPD7031 Phase 1
0.6394 Remote Similarity NPD4889 Approved
0.6393 Remote Similarity NPD4901 Clinical (unspecified phase)
0.6389 Remote Similarity NPD4501 Approved
0.6389 Remote Similarity NPD4500 Approved
0.6388 Remote Similarity NPD1996 Discontinued
0.6386 Remote Similarity NPD6739 Clinical (unspecified phase)
0.6384 Remote Similarity NPD4667 Clinical (unspecified phase)
0.6383 Remote Similarity NPD4804 Approved
0.6379 Remote Similarity NPD5801 Clinical (unspecified phase)
0.6376 Remote Similarity NPD5513 Phase 2
0.6368 Remote Similarity NPD6569 Phase 2
0.6368 Remote Similarity NPD5866 Approved
0.6364 Remote Similarity NPD4375 Approved
0.6356 Remote Similarity NPD4958 Clinical (unspecified phase)
0.6356 Remote Similarity NPD5490 Discontinued
0.6349 Remote Similarity NPD1649 Discontinued
0.6347 Remote Similarity NPD6987 Phase 1
0.6346 Remote Similarity NPD3569 Discontinued
0.6344 Remote Similarity NPD272 Approved
0.6341 Remote Similarity NPD1032 Phase 2
0.6338 Remote Similarity NPD6361 Phase 2
0.6335 Remote Similarity NPD3813 Approved
0.6333 Remote Similarity NPD8020 Approved
0.6333 Remote Similarity NPD8021 Approved
0.633 Remote Similarity NPD6477 Clinical (unspecified phase)
0.6327 Remote Similarity NPD2809 Approved
0.6319 Remote Similarity NPD9284 Approved
0.6318 Remote Similarity NPD6716 Phase 1
0.6318 Remote Similarity NPD7001 Phase 3
0.6307 Remote Similarity NPD8375 Approved
0.6303 Remote Similarity NPD7234 Approved
0.6303 Remote Similarity NPD7233 Approved
0.63 Remote Similarity NPD6635 Approved
0.6298 Remote Similarity NPD4373 Phase 2
0.6293 Remote Similarity NPD8430 Approved
0.629 Remote Similarity NPD7562 Approved
0.6282 Remote Similarity NPD6962 Phase 2
0.6281 Remote Similarity NPD9398 Clinical (unspecified phase)
0.6281 Remote Similarity NPD6276 Discontinued
0.628 Remote Similarity NPD1618 Phase 2
0.6273 Remote Similarity NPD944 Approved
0.6273 Remote Similarity NPD5901 Discontinued
0.6267 Remote Similarity NPD6661 Clinical (unspecified phase)
0.6266 Remote Similarity NPD7967 Discontinued
0.6262 Remote Similarity NPD4551 Phase 2
0.6256 Remote Similarity NPD6257 Clinical (unspecified phase)
0.6256 Remote Similarity NPD3326 Clinical (unspecified phase)
0.6255 Remote Similarity NPD6351 Discovery
0.6255 Remote Similarity NPD8371 Clinical (unspecified phase)
0.625 Remote Similarity NPD6206 Phase 1
0.625 Remote Similarity NPD3386 Phase 2
0.625 Remote Similarity NPD7470 Discontinued
0.6243 Remote Similarity NPD1380 Discovery
0.6239 Remote Similarity NPD5417 Clinical (unspecified phase)
0.6238 Remote Similarity NPD3082 Discontinued
0.6237 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6232 Remote Similarity NPD1620 Clinical (unspecified phase)
0.623 Remote Similarity NPD5482 Discontinued
0.6228 Remote Similarity NPD4429 Discontinued
0.6226 Remote Similarity NPD6068 Discontinued
0.6226 Remote Similarity NPD4334 Discontinued
0.6224 Remote Similarity NPD510 Phase 1
0.6223 Remote Similarity NPD6553 Clinical (unspecified phase)
0.6222 Remote Similarity NPD3816 Phase 1
0.6222 Remote Similarity NPD3815 Phase 1
0.6215 Remote Similarity NPD981 Phase 2

Structure

External Identifiers

PubChem CID   24879110
ChEMBL   CHEMBL465690
ZINC  

Physicochemical Properties

Molecular Weight:  537.18
ALogP:  -4.527
MLogP:  2.78
XLogP:  -0.661
# Rotatable Bonds:  18
Polar Surface Area:  199.15
# H-Bond Aceptor:  12
# H-Bond Donor:  5
# Rings:  3
# Heavy Atoms:  38

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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