Natural Product: NPC32451

Natural Product ID:  NPC32451
Common Name:   Lonijaposide A
IUPAC Name:   1-(3-carboxypropyl)-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]pyridin-1-ium-3-carboxylate
Synonyms:  
Molecular Formula:   C27H33NO13
Standard InCHIKey:  DRYLFSKCXKHLKH-XBRJNPSZSA-N
Standard InCHI:  InChI=1S/C27H33NO13/c1-3-16-17(7-6-14-9-15(24(35)36)11-28(10-14)8-4-5-20(30)31)18(25(37)38-2)13-39-26(16)41-27-23(34)22(33)21(32)19(12-29)40-27/h3,6-7,9-11,13,16-17,19,21-23,26-27,29,32-34H,1,4-5,8,12H2,2H3,(H-,30,31,35,36)/b7-6+/t16-,17+,19-,21-,22+,23-,26+,27+/m1/s1
Canonical SMILES:  C=C[C@H]1[C@@H](OC=C([C@H]1/C=C/c1c[n+](CCCC(=O)O)cc(c1)C(=O)[O-])C(=O)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)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*
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota UNPD*
NPO4823 Psiadia dentata Species Asteraceae Eukaryota UNPD*
NPO3853 Aspidosperma subincanum Species Apocynaceae Eukaryota UNPD*
NPO471 Ardisia neriifolia Species Primulaceae Eukaryota UNPD*
NPO19948 Neolentinus lepideus Species Gloeophyllaceae Eukaryota UNPD*
NPO5155 Peritassa compta Species Celastraceae Eukaryota UNPD*
NPO6729 Juniperus brevifolia Species Cupressaceae Eukaryota UNPD*
NPO6092 Symphyocladia latiuscula Species Rhodomelaceae Eukaryota UNPD*
NPO8418 Anemone flaccida Species Ranunculaceae Eukaryota UNPD*
NPO5196 Eupatorium argentinum Species Asteraceae Eukaryota UNPD*
NPO6237 Cryptocarya aschersoniana Species Lauraceae Eukaryota UNPD*
NPO7569 Guatteria boliviana Species Annonaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition = 11 % 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 NPC32451 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
0.9888 High Similarity NPC328559
0.9831 High Similarity NPC324245
0.9831 High Similarity NPC320748
0.9722 High Similarity NPC79223
0.9721 High Similarity NPC317672
0.9665 High Similarity NPC329024
0.9514 High Similarity NPC156044
0.9503 High Similarity NPC59033
0.9405 High Similarity NPC12944
0.9405 High Similarity NPC25442
0.9006 High Similarity NPC325775
0.8964 High Similarity NPC111732
0.8798 High Similarity NPC328798
0.8785 High Similarity NPC322043
0.8785 High Similarity NPC327373
0.8579 High Similarity NPC325093
0.8557 High Similarity NPC309498
0.8556 High Similarity NPC127647
0.8486 Intermediate Similarity NPC318020
0.8449 Intermediate Similarity NPC182814
0.8241 Intermediate Similarity NPC472752
0.8229 Intermediate Similarity NPC20593
0.8088 Intermediate Similarity NPC477910
0.8075 Intermediate Similarity NPC317010
0.8061 Intermediate Similarity NPC160127
0.8061 Intermediate Similarity NPC50997
0.803 Intermediate Similarity NPC472553
0.803 Intermediate Similarity NPC476467
0.797 Intermediate Similarity NPC304179
0.797 Intermediate Similarity NPC472550
0.797 Intermediate Similarity NPC48042
0.7961 Intermediate Similarity NPC475408
0.7961 Intermediate Similarity NPC471014
0.7923 Intermediate Similarity NPC144779
0.7923 Intermediate Similarity NPC294579
0.7921 Intermediate Similarity NPC63041
0.7913 Intermediate Similarity NPC470306
0.7885 Intermediate Similarity NPC472555
0.7874 Intermediate Similarity NPC471016
0.7874 Intermediate Similarity NPC6981
0.7867 Intermediate Similarity NPC475498
0.7867 Intermediate Similarity NPC475137
0.7864 Intermediate Similarity NPC228331
0.7864 Intermediate Similarity NPC319128
0.7857 Intermediate Similarity NPC477911
0.7837 Intermediate Similarity NPC62367
0.783 Intermediate Similarity NPC473506
0.782 Intermediate Similarity NPC76565
0.781 Intermediate Similarity NPC477912
0.7799 Intermediate Similarity NPC84815
0.7799 Intermediate Similarity NPC216428
0.7799 Intermediate Similarity NPC301368
0.7793 Intermediate Similarity NPC124029
0.7793 Intermediate Similarity NPC211920
0.7788 Intermediate Similarity NPC206343
0.7788 Intermediate Similarity NPC477908
0.7783 Intermediate Similarity NPC477902
0.7783 Intermediate Similarity NPC233727
0.7767 Intermediate Similarity NPC292517
0.7757 Intermediate Similarity NPC471190
0.7757 Intermediate Similarity NPC470486
0.7757 Intermediate Similarity NPC475644
0.7757 Intermediate Similarity NPC471977
0.7746 Intermediate Similarity NPC148860
0.7742 Intermediate Similarity NPC170751
0.774 Intermediate Similarity NPC42678
0.774 Intermediate Similarity NPC477907
0.774 Intermediate Similarity NPC477909
0.7736 Intermediate Similarity NPC471980
0.7729 Intermediate Similarity NPC165837
0.771 Intermediate Similarity NPC476110
0.771 Intermediate Similarity NPC475631
0.771 Intermediate Similarity NPC475600
0.771 Intermediate Similarity NPC87152
0.7703 Intermediate Similarity NPC162812
0.77 Intermediate Similarity NPC328154
0.77 Intermediate Similarity NPC473850
0.7692 Intermediate Similarity NPC264674
0.7689 Intermediate Similarity NPC127026
0.7689 Intermediate Similarity NPC127720
0.7685 Intermediate Similarity NPC477906
0.7681 Intermediate Similarity NPC323551
0.7681 Intermediate Similarity NPC280473
0.7674 Intermediate Similarity NPC475362
0.7656 Intermediate Similarity NPC207531
0.7656 Intermediate Similarity NPC30570
0.7653 Intermediate Similarity NPC57797
0.7653 Intermediate Similarity NPC250807
0.765 Intermediate Similarity NPC30456
0.7644 Intermediate Similarity NPC41724
0.7644 Intermediate Similarity NPC51008
0.7633 Intermediate Similarity NPC40919
0.7633 Intermediate Similarity NPC470189
0.7628 Intermediate Similarity NPC475601
0.7628 Intermediate Similarity NPC146824
0.7608 Intermediate Similarity NPC4421
0.7604 Intermediate Similarity NPC475303
0.7604 Intermediate Similarity NPC150698
0.7604 Intermediate Similarity NPC96801
0.7604 Intermediate Similarity NPC475596
0.7598 Intermediate Similarity NPC289086
0.7583 Intermediate Similarity NPC319556
0.7582 Intermediate Similarity NPC107287
0.758 Intermediate Similarity NPC327769
0.758 Intermediate Similarity NPC475426
0.758 Intermediate Similarity NPC35208
0.7573 Intermediate Similarity NPC470190
0.7571 Intermediate Similarity NPC193361
0.7571 Intermediate Similarity NPC62844
0.7569 Intermediate Similarity NPC469748
0.7566 Intermediate Similarity NPC249614
0.7546 Intermediate Similarity NPC122968
0.7546 Intermediate Similarity NPC228377
0.7546 Intermediate Similarity NPC477787
0.7546 Intermediate Similarity NPC328186
0.7541 Intermediate Similarity NPC263455
0.7534 Intermediate Similarity NPC237702
0.7524 Intermediate Similarity NPC475835
0.7523 Intermediate Similarity NPC292416
0.7523 Intermediate Similarity NPC473689
0.7513 Intermediate Similarity NPC44354
0.75 Intermediate Similarity NPC187494
0.75 Intermediate Similarity NPC212768
0.75 Intermediate Similarity NPC75600
0.75 Intermediate Similarity NPC473115
0.75 Intermediate Similarity NPC473089
0.75 Intermediate Similarity NPC6576
0.75 Intermediate Similarity NPC158020
0.7489 Intermediate Similarity NPC319880
0.7489 Intermediate Similarity NPC244839
0.7489 Intermediate Similarity NPC320324
0.7477 Intermediate Similarity NPC477903
0.7463 Intermediate Similarity NPC109922
0.7454 Intermediate Similarity NPC26881
0.7443 Intermediate Similarity NPC316841
0.7442 Intermediate Similarity NPC235364
0.7441 Intermediate Similarity NPC274842
0.743 Intermediate Similarity NPC477901
0.7429 Intermediate Similarity NPC244856
0.7421 Intermediate Similarity NPC475406
0.7393 Intermediate Similarity NPC236424
0.7393 Intermediate Similarity NPC306644
0.7387 Intermediate Similarity NPC38959
0.7387 Intermediate Similarity NPC327904
0.7385 Intermediate Similarity NPC285411
0.7385 Intermediate Similarity NPC14116
0.7376 Intermediate Similarity NPC238278
0.7373 Intermediate Similarity NPC477900
0.7373 Intermediate Similarity NPC477899
0.7366 Intermediate Similarity NPC253482
0.7366 Intermediate Similarity NPC155792
0.7363 Intermediate Similarity NPC112741
0.7361 Intermediate Similarity NPC477788
0.7352 Intermediate Similarity NPC134384
0.7352 Intermediate Similarity NPC311196
0.7337 Intermediate Similarity NPC75544
0.7318 Intermediate Similarity NPC91125
0.7297 Intermediate Similarity NPC312860
0.7293 Intermediate Similarity NPC230085
0.7293 Intermediate Similarity NPC159630
0.7281 Intermediate Similarity NPC475533
0.7269 Intermediate Similarity NPC475648
0.7264 Intermediate Similarity NPC114974
0.7253 Intermediate Similarity NPC167400
0.7249 Intermediate Similarity NPC324619
0.7249 Intermediate Similarity NPC475315
0.7241 Intermediate Similarity NPC135950
0.7237 Intermediate Similarity NPC148896
0.7237 Intermediate Similarity NPC180668
0.7237 Intermediate Similarity NPC471013
0.7235 Intermediate Similarity NPC253314
0.7228 Intermediate Similarity NPC471546
0.721 Intermediate Similarity NPC326930
0.721 Intermediate Similarity NPC475301
0.7194 Intermediate Similarity NPC164340
0.7184 Intermediate Similarity NPC103361
0.7176 Intermediate Similarity NPC82070
0.7175 Intermediate Similarity NPC213143
0.7167 Intermediate Similarity NPC471015
0.7143 Intermediate Similarity NPC113812
0.712 Intermediate Similarity NPC474217
0.7112 Intermediate Similarity NPC10904
0.7106 Intermediate Similarity NPC13603
0.7101 Intermediate Similarity NPC328928
0.7089 Intermediate Similarity NPC473833
0.7087 Intermediate Similarity NPC476090
0.7068 Intermediate Similarity NPC71079
0.7064 Intermediate Similarity NPC85879
0.7064 Intermediate Similarity NPC53255
0.7064 Intermediate Similarity NPC472435
0.7064 Intermediate Similarity NPC478045
0.7064 Intermediate Similarity NPC52254
0.7046 Intermediate Similarity NPC472436
0.7028 Intermediate Similarity NPC474905
0.7026 Intermediate Similarity NPC273532
0.7024 Intermediate Similarity NPC103230
0.7018 Intermediate Similarity NPC314270
0.7014 Intermediate Similarity NPC475271
0.7005 Intermediate Similarity NPC476114
0.7004 Intermediate Similarity NPC57453

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC32451 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
0.8131 Intermediate Similarity NPD7396 Approved
0.7926 Intermediate Similarity NPD8304 Clinical (unspecified phase)
0.7747 Intermediate Similarity NPD820 Phase 3
0.766 Intermediate Similarity NPD485 Clinical (unspecified phase)
0.7363 Intermediate Similarity NPD9271 Approved
0.7357 Intermediate Similarity NPD8468 Phase 2
0.7253 Intermediate Similarity NPD9075 Approved
0.7253 Intermediate Similarity NPD9074 Approved
0.7209 Intermediate Similarity NPD8327 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD8325 Phase 3
0.7209 Intermediate Similarity NPD8326 Phase 3
0.7127 Intermediate Similarity NPD107 Approved
0.7095 Intermediate Similarity NPD2831 Approved
0.707 Intermediate Similarity NPD3795 Approved
0.707 Intermediate Similarity NPD3794 Approved
0.7042 Intermediate Similarity NPD6529 Discontinued
0.7032 Intermediate Similarity NPD8479 Phase 2
0.6961 Remote Similarity NPD2544 Clinical (unspecified phase)
0.6943 Remote Similarity NPD5088 Discontinued
0.6908 Remote Similarity NPD5975 Clinical (unspecified phase)
0.6878 Remote Similarity NPD3280 Approved
0.6854 Remote Similarity NPD3947 Discontinued
0.6847 Remote Similarity NPD6298 Discontinued
0.6837 Remote Similarity NPD2509 Approved
0.6837 Remote Similarity NPD2510 Approved
0.6831 Remote Similarity NPD203 Clinical (unspecified phase)
0.6804 Remote Similarity NPD5148 Clinical (unspecified phase)
0.6804 Remote Similarity NPD5149 Phase 2
0.68 Remote Similarity NPD5640 Discontinued
0.68 Remote Similarity NPD6642 Approved
0.68 Remote Similarity NPD6641 Approved
0.6782 Remote Similarity NPD1783 Clinical (unspecified phase)
0.6773 Remote Similarity NPD3393 Approved
0.6773 Remote Similarity NPD3394 Approved
0.6773 Remote Similarity NPD3389 Approved
0.6771 Remote Similarity NPD4301 Approved
0.6743 Remote Similarity NPD4417 Approved
0.6731 Remote Similarity NPD4376 Phase 3
0.6729 Remote Similarity NPD2121 Clinical (unspecified phase)
0.6715 Remote Similarity NPD8063 Discontinued
0.6713 Remote Similarity NPD3371 Approved
0.6699 Remote Similarity NPD4528 Approved
0.6699 Remote Similarity NPD4526 Approved
0.6699 Remote Similarity NPD4529 Approved
0.6683 Remote Similarity NPD2336 Approved
0.6682 Remote Similarity NPD5721 Clinical (unspecified phase)
0.6681 Remote Similarity NPD8409 Suspended
0.6667 Remote Similarity NPD4396 Clinical (unspecified phase)
0.6651 Remote Similarity NPD4987 Clinical (unspecified phase)
0.6651 Remote Similarity NPD5583 Clinical (unspecified phase)
0.665 Remote Similarity NPD1643 Phase 3
0.665 Remote Similarity NPD9510 Approved
0.6638 Remote Similarity NPD1483 Discontinued
0.6638 Remote Similarity NPD3006 Discontinued
0.6637 Remote Similarity NPD7878 Phase 2
0.6636 Remote Similarity NPD6657 Clinical (unspecified phase)
0.6635 Remote Similarity NPD7061 Clinical (unspecified phase)
0.6635 Remote Similarity NPD4081 Clinical (unspecified phase)
0.6634 Remote Similarity NPD1096 Discontinued
0.6624 Remote Similarity NPD7885 Phase 2
0.6624 Remote Similarity NPD7886 Phase 2
0.6623 Remote Similarity NPD4086 Phase 1
0.6609 Remote Similarity NPD8372 Clinical (unspecified phase)
0.6598 Remote Similarity NPD8370 Discontinued
0.6592 Remote Similarity NPD4989 Phase 2
0.659 Remote Similarity NPD6732 Clinical (unspecified phase)
0.6589 Remote Similarity NPD4491 Clinical (unspecified phase)
0.6582 Remote Similarity NPD2511 Approved
0.6575 Remote Similarity NPD4506 Discontinued
0.6573 Remote Similarity NPD7777 Approved
0.6573 Remote Similarity NPD53 Approved
0.6573 Remote Similarity NPD7778 Approved
0.6567 Remote Similarity NPD5891 Approved
0.6557 Remote Similarity NPD2307 Discontinued
0.6552 Remote Similarity NPD5751 Clinical (unspecified phase)
0.6545 Remote Similarity NPD4900 Clinical (unspecified phase)
0.6535 Remote Similarity NPD5322 Clinical (unspecified phase)
0.6533 Remote Similarity NPD6770 Approved
0.6528 Remote Similarity NPD5965 Clinical (unspecified phase)
0.6512 Remote Similarity NPD5228 Phase 3
0.6509 Remote Similarity NPD4427 Phase 2
0.6507 Remote Similarity NPD4021 Phase 2
0.6507 Remote Similarity NPD8289 Discontinued
0.6494 Remote Similarity NPD5801 Clinical (unspecified phase)
0.6493 Remote Similarity NPD6665 Discontinued
0.6489 Remote Similarity NPD6578 Clinical (unspecified phase)
0.6486 Remote Similarity NPD7069 Discontinued
0.6475 Remote Similarity NPD8373 Clinical (unspecified phase)
0.6474 Remote Similarity NPD751 Clinical (unspecified phase)
0.6471 Remote Similarity NPD2896 Discontinued
0.6468 Remote Similarity NPD6987 Phase 1
0.6462 Remote Similarity NPD1173 Approved
0.6459 Remote Similarity NPD9364 Phase 2
0.6459 Remote Similarity NPD9363 Approved
0.6458 Remote Similarity NPD1270 Approved
0.6456 Remote Similarity NPD9362 Approved
0.6445 Remote Similarity NPD1977 Clinical (unspecified phase)
0.6438 Remote Similarity NPD7010 Phase 3
0.6438 Remote Similarity NPD4901 Clinical (unspecified phase)
0.6422 Remote Similarity NPD5022 Discontinued
0.6416 Remote Similarity NPD1926 Approved
0.641 Remote Similarity NPD4373 Phase 2
0.6406 Remote Similarity NPD3911 Approved
0.6398 Remote Similarity NPD3321 Discontinued
0.6394 Remote Similarity NPD3569 Discontinued
0.6391 Remote Similarity NPD3925 Approved
0.6388 Remote Similarity NPD6955 Clinical (unspecified phase)
0.6385 Remote Similarity NPD6361 Phase 2
0.6381 Remote Similarity NPD4948 Discontinued
0.638 Remote Similarity NPD7467 Discontinued
0.6376 Remote Similarity NPD8356 Approved
0.6368 Remote Similarity NPD4805 Approved
0.6368 Remote Similarity NPD4174 Clinical (unspecified phase)
0.6368 Remote Similarity NPD5475 Discontinued
0.6364 Remote Similarity NPD4889 Approved
0.6359 Remote Similarity NPD8037 Clinical (unspecified phase)
0.6359 Remote Similarity NPD8036 Clinical (unspecified phase)
0.6359 Remote Similarity NPD4500 Approved
0.6359 Remote Similarity NPD4501 Approved
0.6355 Remote Similarity NPD6739 Clinical (unspecified phase)
0.6351 Remote Similarity NPD7233 Approved
0.6351 Remote Similarity NPD7234 Approved
0.635 Remote Similarity NPD6635 Approved
0.6347 Remote Similarity NPD5513 Phase 2
0.6338 Remote Similarity NPD5317 Clinical (unspecified phase)
0.6337 Remote Similarity NPD6525 Clinical (unspecified phase)
0.6335 Remote Similarity NPD7562 Approved
0.6333 Remote Similarity NPD4375 Approved
0.6332 Remote Similarity NPD4923 Phase 1
0.633 Remote Similarity NPD9506 Approved
0.6329 Remote Similarity NPD4958 Clinical (unspecified phase)
0.6327 Remote Similarity NPD5490 Discontinued
0.6325 Remote Similarity NPD6962 Phase 2
0.6322 Remote Similarity NPD6276 Discontinued
0.6318 Remote Similarity NPD4035 Approved
0.6318 Remote Similarity NPD4039 Approved
0.6318 Remote Similarity NPD4036 Approved
0.6318 Remote Similarity NPD4034 Approved
0.6318 Remote Similarity NPD31 Approved
0.6318 Remote Similarity NPD4038 Approved
0.6318 Remote Similarity NPD4122 Approved
0.6318 Remote Similarity NPD4033 Approved
0.6318 Remote Similarity NPD32 Approved
0.6318 Remote Similarity NPD4037 Approved
0.6316 Remote Similarity NPD1649 Discontinued
0.6313 Remote Similarity NPD9382 Approved
0.6313 Remote Similarity NPD6661 Clinical (unspecified phase)
0.6313 Remote Similarity NPD2582 Approved
0.6313 Remote Similarity NPD2581 Approved
0.6313 Remote Similarity NPD9383 Approved
0.631 Remote Similarity NPD272 Approved
0.6302 Remote Similarity NPD3813 Approved
0.6301 Remote Similarity NPD6477 Clinical (unspecified phase)
0.6298 Remote Similarity NPD7031 Phase 1
0.6294 Remote Similarity NPD2809 Approved
0.6293 Remote Similarity NPD7426 Phase 1
0.6292 Remote Similarity NPD6716 Phase 1
0.629 Remote Similarity NPD7001 Phase 3
0.6284 Remote Similarity NPD9284 Approved
0.6282 Remote Similarity NPD4952 Phase 3
0.6281 Remote Similarity NPD5255 Approved
0.6276 Remote Similarity NPD510 Phase 1
0.6272 Remote Similarity NPD1623 Approved
0.6267 Remote Similarity NPD5866 Approved
0.6267 Remote Similarity NPD3815 Phase 1
0.6267 Remote Similarity NPD3816 Phase 1
0.6266 Remote Similarity NPD8430 Approved
0.6263 Remote Similarity NPD4804 Approved
0.6261 Remote Similarity NPD5147 Discontinued
0.6256 Remote Similarity NPD6872 Clinical (unspecified phase)
0.625 Remote Similarity NPD6262 Clinical (unspecified phase)
0.6245 Remote Similarity NPD7404 Approved
0.6244 Remote Similarity NPD5901 Discontinued
0.6244 Remote Similarity NPD944 Approved
0.6244 Remote Similarity NPD180 Clinical (unspecified phase)
0.6239 Remote Similarity NPD7571 Clinical (unspecified phase)
0.6239 Remote Similarity NPD6999 Discontinued
0.6239 Remote Similarity NPD7000 Clinical (unspecified phase)
0.6233 Remote Similarity NPD4551 Phase 2
0.6232 Remote Similarity NPD1032 Phase 2
0.623 Remote Similarity NPD6351 Discovery
0.6228 Remote Similarity NPD3326 Clinical (unspecified phase)
0.6226 Remote Similarity NPD8020 Approved
0.6226 Remote Similarity NPD6257 Clinical (unspecified phase)
0.6226 Remote Similarity NPD8021 Approved
0.6225 Remote Similarity NPD1573 Approved
0.6225 Remote Similarity NPD1575 Approved
0.6222 Remote Similarity NPD7927 Clinical (unspecified phase)
0.6221 Remote Similarity NPD6206 Phase 1
0.622 Remote Similarity NPD3178 Discontinued
0.622 Remote Similarity NPD3386 Phase 2
0.6217 Remote Similarity NPD1996 Discontinued
0.6214 Remote Similarity NPD8375 Approved
0.6211 Remote Similarity NPD4667 Clinical (unspecified phase)
0.6211 Remote Similarity NPD5293 Phase 2
0.621 Remote Similarity NPD8248 Clinical (unspecified phase)
0.6202 Remote Similarity NPD1620 Clinical (unspecified phase)
0.6199 Remote Similarity NPD6669 Phase 2
0.6197 Remote Similarity NPD4334 Discontinued
0.6197 Remote Similarity NPD6068 Discontinued

Structure

External Identifiers

PubChem CID   24879108
ChEMBL   CHEMBL445824
ZINC  

Physicochemical Properties

Molecular Weight:  579.20
ALogP:  -4.5713
MLogP:  2.89
XLogP:  -0.054
# Rotatable Bonds:  20
Polar Surface Area:  216.22
# H-Bond Aceptor:  13
# H-Bond Donor:  5
# Rings:  3
# Heavy Atoms:  41

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Biological Activities  
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