Natural Product: NPC111466

Natural Product ID:  NPC111466
Common Name:   Pachyelaside-A
IUPAC Name:   (3S,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-3-[(E)-3-phenylprop-2-enoyl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Synonyms:  
Molecular Formula:   C63H94O25
Standard InCHIKey:  IYKPELJBFODWHJ-FWMZTCOGSA-N
Standard InCHI:  InChI=1S/C63H94O25/c1-58(2)23-31-30-14-15-37-60(5)19-18-38(59(3,4)36(60)17-20-62(37,7)61(30,6)21-22-63(31,57(78)79)24-39(58)84-40(68)16-13-29-11-9-8-10-12-29)85-55-51(46(74)42(70)33(26-65)82-55)88-54-49(77)50(44(72)35(28-67)81-54)86-56-52(47(75)43(71)34(27-66)83-56)87-53-48(76)45(73)41(69)32(25-64)80-53/h8-14,16,31-39,41-56,64-67,69-77H,15,17-28H2,1-7H3,(H,78,79)/b16-13+/t31-,32+,33+,34+,35+,36-,37+,38-,39-,41+,42+,43+,44+,45-,46-,47-,48+,49+,50-,51+,52+,53-,54-,55-,56-,60-,61+,62+,63+/m0/s1
Canonical SMILES:  OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)[C@H](C2)OC(=O)/C=C/c2ccccc2)C(=O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)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
NPO5418 Pachyelasma tessmannii Species Fabaceae Eukaryota PMID[15686409]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT3469 Organism Biomphalaria glabrata Biomphalaria glabrata LD50 = 2 ug/ml 19928832

  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 NPC111466 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
0.9926 High Similarity NPC40085
0.9926 High Similarity NPC264270
0.9281 High Similarity NPC475513
0.9281 High Similarity NPC473755
0.9167 High Similarity NPC329657
0.9054 High Similarity NPC477467
0.9041 High Similarity NPC69425
0.8986 High Similarity NPC477474
0.8986 High Similarity NPC477470
0.8986 High Similarity NPC477472
0.875 High Similarity NPC475536
0.875 High Similarity NPC165234
0.8693 High Similarity NPC329960
0.8693 High Similarity NPC475505
0.8693 High Similarity NPC473641
0.8693 High Similarity NPC150893
0.8693 High Similarity NPC473797
0.8693 High Similarity NPC295408
0.8693 High Similarity NPC475437
0.8693 High Similarity NPC475464
0.8693 High Similarity NPC475300
0.8686 High Similarity NPC471024
0.8676 High Similarity NPC35338
0.8676 High Similarity NPC124878
0.8676 High Similarity NPC171007
0.8676 High Similarity NPC190849
0.8676 High Similarity NPC290276
0.8676 High Similarity NPC10883
0.8676 High Similarity NPC231888
0.8676 High Similarity NPC92283
0.8676 High Similarity NPC63404
0.8676 High Similarity NPC204214
0.8676 High Similarity NPC198918
0.8676 High Similarity NPC10121
0.8675 High Similarity NPC476784
0.8667 High Similarity NPC87153
0.8667 High Similarity NPC162925
0.8639 High Similarity NPC474564
0.8613 High Similarity NPC471025
0.8603 High Similarity NPC77651
0.8603 High Similarity NPC28069
0.8581 High Similarity NPC476092
0.8581 High Similarity NPC473468
0.8581 High Similarity NPC475567
0.8581 High Similarity NPC473557
0.8581 High Similarity NPC475218
0.8581 High Similarity NPC70236
0.8581 High Similarity NPC475447
0.854 High Similarity NPC147032
0.8535 High Similarity NPC477466
0.8535 High Similarity NPC477473
0.8535 High Similarity NPC477469
0.8535 High Similarity NPC477471
0.8535 High Similarity NPC278272
0.8535 High Similarity NPC120667
0.8526 High Similarity NPC475531
0.8526 High Similarity NPC475175
0.8526 High Similarity NPC475198
0.85 High Similarity NPC80599
0.8489 Intermediate Similarity NPC473443
0.8438 Intermediate Similarity NPC13989
0.8418 Intermediate Similarity NPC477488
0.8417 Intermediate Similarity NPC225103
0.8385 Intermediate Similarity NPC124828
0.8377 Intermediate Similarity NPC477623
0.8357 Intermediate Similarity NPC475138
0.8357 Intermediate Similarity NPC472388
0.8345 Intermediate Similarity NPC230331
0.8333 Intermediate Similarity NPC475649
0.8333 Intermediate Similarity NPC469448
0.8323 Intermediate Similarity NPC469775
0.8323 Intermediate Similarity NPC135334
0.8323 Intermediate Similarity NPC32723
0.8323 Intermediate Similarity NPC469774
0.8323 Intermediate Similarity NPC469777
0.8323 Intermediate Similarity NPC469778
0.8323 Intermediate Similarity NPC469776
0.8323 Intermediate Similarity NPC100925
0.8323 Intermediate Similarity NPC469773
0.8323 Intermediate Similarity NPC295941
0.8323 Intermediate Similarity NPC469772
0.831 Intermediate Similarity NPC472437
0.8298 Intermediate Similarity NPC472361
0.8289 Intermediate Similarity NPC472658
0.8289 Intermediate Similarity NPC472657
0.8273 Intermediate Similarity NPC471026
0.8272 Intermediate Similarity NPC475345
0.8248 Intermediate Similarity NPC141970
0.8248 Intermediate Similarity NPC140561
0.8239 Intermediate Similarity NPC475493
0.8239 Intermediate Similarity NPC209851
0.8239 Intermediate Similarity NPC469420
0.8239 Intermediate Similarity NPC102465
0.8235 Intermediate Similarity NPC469398
0.8228 Intermediate Similarity NPC477491
0.8214 Intermediate Similarity NPC195224
0.8212 Intermediate Similarity NPC475561
0.8212 Intermediate Similarity NPC475417
0.8201 Intermediate Similarity NPC470816
0.8169 Intermediate Similarity NPC305162
0.8148 Intermediate Similarity NPC476113
0.8146 Intermediate Similarity NPC270590
0.8146 Intermediate Similarity NPC301556
0.8146 Intermediate Similarity NPC92293
0.8146 Intermediate Similarity NPC471101
0.8146 Intermediate Similarity NPC266265
0.8129 Intermediate Similarity NPC220838
0.8129 Intermediate Similarity NPC45606
0.8129 Intermediate Similarity NPC471758
0.8129 Intermediate Similarity NPC469417
0.8117 Intermediate Similarity NPC34066
0.8117 Intermediate Similarity NPC469422
0.8116 Intermediate Similarity NPC12016
0.8116 Intermediate Similarity NPC297950
0.8112 Intermediate Similarity NPC471880
0.8105 Intermediate Similarity NPC472548
0.8105 Intermediate Similarity NPC477905
0.8086 Intermediate Similarity NPC471870
0.8085 Intermediate Similarity NPC231627
0.8079 Intermediate Similarity NPC281717
0.8077 Intermediate Similarity NPC477736
0.8077 Intermediate Similarity NPC469399
0.8071 Intermediate Similarity NPC45821
0.8071 Intermediate Similarity NPC470818
0.8069 Intermediate Similarity NPC473216
0.8069 Intermediate Similarity NPC473399
0.8067 Intermediate Similarity NPC476973
0.8067 Intermediate Similarity NPC96903
0.8067 Intermediate Similarity NPC158663
0.8067 Intermediate Similarity NPC171525
0.8067 Intermediate Similarity NPC472568
0.8067 Intermediate Similarity NPC200471
0.8067 Intermediate Similarity NPC470157
0.8067 Intermediate Similarity NPC184817
0.8067 Intermediate Similarity NPC70403
0.8067 Intermediate Similarity NPC470159
0.8067 Intermediate Similarity NPC473088
0.8067 Intermediate Similarity NPC472556
0.8067 Intermediate Similarity NPC469349
0.8067 Intermediate Similarity NPC472571
0.8067 Intermediate Similarity NPC471104
0.8067 Intermediate Similarity NPC177940
0.8067 Intermediate Similarity NPC174982
0.8067 Intermediate Similarity NPC472575
0.8067 Intermediate Similarity NPC29704
0.8067 Intermediate Similarity NPC472572
0.8061 Intermediate Similarity NPC475613
0.8058 Intermediate Similarity NPC470815
0.8058 Intermediate Similarity NPC469742
0.8058 Intermediate Similarity NPC470516
0.8058 Intermediate Similarity NPC472373
0.8054 Intermediate Similarity NPC284957
0.8054 Intermediate Similarity NPC477468
0.8054 Intermediate Similarity NPC91703
0.8052 Intermediate Similarity NPC256142
0.8052 Intermediate Similarity NPC472022
0.8052 Intermediate Similarity NPC249471
0.8052 Intermediate Similarity NPC237549
0.8052 Intermediate Similarity NPC1173
0.8052 Intermediate Similarity NPC304876
0.8052 Intermediate Similarity NPC257213
0.8052 Intermediate Similarity NPC158333
0.8052 Intermediate Similarity NPC242262
0.8052 Intermediate Similarity NPC265395
0.8052 Intermediate Similarity NPC472005
0.8052 Intermediate Similarity NPC473414
0.8052 Intermediate Similarity NPC472030
0.8042 Intermediate Similarity NPC472418
0.8039 Intermediate Similarity NPC469415
0.8037 Intermediate Similarity NPC469421
0.8028 Intermediate Similarity NPC237182
0.8028 Intermediate Similarity NPC226101
0.8014 Intermediate Similarity NPC476971
0.8014 Intermediate Similarity NPC300655
0.8014 Intermediate Similarity NPC473423
0.8014 Intermediate Similarity NPC222951
0.8014 Intermediate Similarity NPC472374
0.8014 Intermediate Similarity NPC311178
0.8014 Intermediate Similarity NPC476972
0.8014 Intermediate Similarity NPC43589
0.8014 Intermediate Similarity NPC472372
0.8013 Intermediate Similarity NPC473602
0.8013 Intermediate Similarity NPC477735
0.8 Intermediate Similarity NPC475122
0.8 Intermediate Similarity NPC163719
0.8 Intermediate Similarity NPC470152
0.8 Intermediate Similarity NPC114410
0.8 Intermediate Similarity NPC95810
0.8 Intermediate Similarity NPC57628
0.8 Intermediate Similarity NPC472570
0.8 Intermediate Similarity NPC125106
0.8 Intermediate Similarity NPC23020
0.8 Intermediate Similarity NPC472569
0.8 Intermediate Similarity NPC241951
0.8 Intermediate Similarity NPC70716
0.8 Intermediate Similarity NPC5115
0.8 Intermediate Similarity NPC472268
0.8 Intermediate Similarity NPC204644
0.8 Intermediate Similarity NPC472269
0.8 Intermediate Similarity NPC112492

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC111466 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
0.7687 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7545 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7529 Intermediate Similarity NPD8313 Approved
0.7529 Intermediate Similarity NPD8312 Approved
0.7485 Intermediate Similarity NPD7799 Discontinued
0.7453 Intermediate Similarity NPD8455 Phase 2
0.7355 Intermediate Similarity NPD8166 Discontinued
0.7343 Intermediate Similarity NPD8328 Phase 3
0.7209 Intermediate Similarity NPD8368 Discontinued
0.7176 Intermediate Similarity NPD7228 Approved
0.7161 Intermediate Similarity NPD7266 Discontinued
0.7152 Intermediate Similarity NPD7236 Approved
0.7133 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.711 Intermediate Similarity NPD7240 Approved
0.7086 Intermediate Similarity NPD8407 Phase 2
0.7083 Intermediate Similarity NPD8515 Approved
0.7083 Intermediate Similarity NPD8517 Approved
0.7083 Intermediate Similarity NPD8516 Approved
0.708 Intermediate Similarity NPD6686 Approved
0.7071 Intermediate Similarity NPD8133 Approved
0.7039 Intermediate Similarity NPD7961 Discontinued
0.7039 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD7239 Suspended
0.7014 Intermediate Similarity NPD8294 Approved
0.7014 Intermediate Similarity NPD8377 Approved
0.7006 Intermediate Similarity NPD8424 Clinical (unspecified phase)
0.6994 Remote Similarity NPD7458 Discontinued
0.6982 Remote Similarity NPD8127 Discontinued
0.6966 Remote Similarity NPD8380 Approved
0.6966 Remote Similarity NPD8378 Approved
0.6966 Remote Similarity NPD7503 Approved
0.6966 Remote Similarity NPD8513 Phase 3
0.6966 Remote Similarity NPD8379 Approved
0.6966 Remote Similarity NPD8296 Approved
0.6966 Remote Similarity NPD8335 Approved
0.6957 Remote Similarity NPD8389 Clinical (unspecified phase)
0.695 Remote Similarity NPD6858 Approved
0.695 Remote Similarity NPD7094 Approved
0.6927 Remote Similarity NPD8435 Approved
0.6927 Remote Similarity NPD8361 Approved
0.6927 Remote Similarity NPD8360 Approved
0.6923 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6918 Remote Similarity NPD5126 Approved
0.6918 Remote Similarity NPD5125 Phase 3
0.6906 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6898 Remote Similarity NPD8320 Phase 1
0.6898 Remote Similarity NPD8319 Approved
0.6892 Remote Similarity NPD7507 Approved
0.6867 Remote Similarity NPD37 Approved
0.6865 Remote Similarity NPD8486 Clinical (unspecified phase)
0.6854 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6853 Remote Similarity NPD2629 Approved
0.6849 Remote Similarity NPD8033 Approved
0.6845 Remote Similarity NPD4966 Approved
0.6845 Remote Similarity NPD4967 Phase 2
0.6845 Remote Similarity NPD4965 Approved
0.6833 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6783 Remote Similarity NPD6010 Discontinued
0.6765 Remote Similarity NPD6234 Discontinued
0.6757 Remote Similarity NPD7700 Phase 2
0.6757 Remote Similarity NPD7699 Phase 2
0.6755 Remote Similarity NPD7319 Approved
0.6752 Remote Similarity NPD7097 Phase 1
0.6722 Remote Similarity NPD8434 Phase 2
0.6722 Remote Similarity NPD8150 Discontinued
0.6703 Remote Similarity NPD8485 Approved
0.669 Remote Similarity NPD4198 Discontinued
0.6688 Remote Similarity NPD7008 Discontinued
0.6667 Remote Similarity NPD7274 Clinical (unspecified phase)
0.6667 Remote Similarity NPD8151 Discontinued
0.6648 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6647 Remote Similarity NPD7057 Phase 3
0.6647 Remote Similarity NPD7058 Phase 2
0.6644 Remote Similarity NPD7328 Approved
0.6644 Remote Similarity NPD7327 Approved
0.6629 Remote Similarity NPD7685 Pre-registration
0.661 Remote Similarity NPD7074 Phase 3
0.6605 Remote Similarity NPD4628 Phase 3
0.6599 Remote Similarity NPD7516 Approved
0.6595 Remote Similarity NPD6534 Approved
0.6595 Remote Similarity NPD6535 Approved
0.6579 Remote Similarity NPD7435 Discontinued
0.6573 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6569 Remote Similarity NPD7798 Approved
0.6564 Remote Similarity NPD6190 Approved
0.6554 Remote Similarity NPD7741 Discontinued
0.6547 Remote Similarity NPD6647 Phase 2
0.6543 Remote Similarity NPD6674 Discontinued
0.6525 Remote Similarity NPD6685 Approved
0.6525 Remote Similarity NPD6412 Phase 2
0.6517 Remote Similarity NPD7472 Approved
0.6513 Remote Similarity NPD7783 Phase 2
0.6513 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6512 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6506 Remote Similarity NPD6273 Approved
0.6503 Remote Similarity NPD7003 Approved
0.6503 Remote Similarity NPD6398 Clinical (unspecified phase)
0.65 Remote Similarity NPD5909 Discontinued
0.65 Remote Similarity NPD7808 Phase 3
0.6494 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6492 Remote Similarity NPD7680 Approved
0.6492 Remote Similarity NPD7696 Phase 3
0.6492 Remote Similarity NPD7697 Approved
0.6492 Remote Similarity NPD7698 Approved
0.6486 Remote Similarity NPD7610 Discontinued
0.648 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6471 Remote Similarity NPD7736 Approved
0.6462 Remote Similarity NPD7874 Approved
0.6462 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6461 Remote Similarity NPD7054 Approved
0.6458 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6458 Remote Similarity NPD7870 Phase 2
0.6458 Remote Similarity NPD7871 Phase 2
0.6455 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6454 Remote Similarity NPD5048 Discontinued
0.6452 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6452 Remote Similarity NPD6212 Phase 3
0.6452 Remote Similarity NPD6213 Phase 3
0.6446 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6444 Remote Similarity NPD6559 Discontinued
0.6444 Remote Similarity NPD7251 Discontinued
0.6443 Remote Similarity NPD7701 Phase 2
0.644 Remote Similarity NPD6823 Phase 2
0.6424 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6423 Remote Similarity NPD7902 Approved
0.6421 Remote Similarity NPD6780 Approved
0.6421 Remote Similarity NPD6777 Approved
0.6421 Remote Similarity NPD6778 Approved
0.6421 Remote Similarity NPD6776 Approved
0.6421 Remote Similarity NPD6781 Approved
0.6421 Remote Similarity NPD6779 Approved
0.6421 Remote Similarity NPD6782 Approved
0.642 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6404 Remote Similarity NPD3751 Discontinued
0.64 Remote Similarity NPD7199 Phase 2
0.6395 Remote Similarity NPD5951 Approved
0.6392 Remote Similarity NPD6663 Approved
0.6389 Remote Similarity NPD2067 Discontinued
0.6389 Remote Similarity NPD6797 Phase 2
0.6369 Remote Similarity NPD5844 Phase 1
0.6364 Remote Similarity NPD3787 Discontinued
0.6358 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6358 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6351 Remote Similarity NPD7115 Discovery
0.6346 Remote Similarity NPD5736 Approved
0.6345 Remote Similarity NPD7801 Approved
0.6337 Remote Similarity NPD7819 Suspended
0.6327 Remote Similarity NPD4869 Clinical (unspecified phase)
0.6324 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6324 Remote Similarity NPD7748 Approved
0.6319 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6312 Remote Similarity NPD5765 Approved
0.6301 Remote Similarity NPD6912 Phase 3
0.6294 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6289 Remote Similarity NPD7714 Approved
0.6289 Remote Similarity NPD7715 Approved
0.6287 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6259 Remote Similarity NPD7638 Approved
0.6259 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6257 Remote Similarity NPD7028 Phase 2
0.6257 Remote Similarity NPD4380 Phase 2
0.625 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6243 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6236 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6234 Remote Similarity NPD6637 Approved
0.6233 Remote Similarity NPD2181 Clinical (unspecified phase)
0.623 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6229 Remote Similarity NPD7075 Discontinued
0.6226 Remote Similarity NPD3764 Approved
0.6225 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6222 Remote Similarity NPD3818 Discontinued
0.6214 Remote Similarity NPD7640 Approved
0.6214 Remote Similarity NPD2066 Phase 3
0.6214 Remote Similarity NPD7639 Approved
0.6211 Remote Similarity NPD6355 Discontinued
0.6207 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6207 Remote Similarity NPD2182 Approved
0.6204 Remote Similarity NPD7900 Approved
0.6204 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6199 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6196 Remote Similarity NPD7305 Phase 1
0.6194 Remote Similarity NPD8074 Phase 3
0.619 Remote Similarity NPD969 Suspended
0.6176 Remote Similarity NPD7515 Phase 2
0.6171 Remote Similarity NPD7768 Phase 2
0.6167 Remote Similarity NPD7473 Discontinued
0.6164 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6159 Remote Similarity NPD5404 Approved
0.6159 Remote Similarity NPD5406 Approved
0.6159 Remote Similarity NPD5405 Approved
0.6159 Remote Similarity NPD5408 Approved
0.6154 Remote Similarity NPD7497 Discontinued
0.6154 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6144 Remote Similarity NPD6370 Approved
0.6141 Remote Similarity NPD8658 Clinical (unspecified phase)
0.614 Remote Similarity NPD1653 Approved
0.6135 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6133 Remote Similarity NPD3317 Approved
0.6125 Remote Similarity NPD6798 Discontinued
0.6124 Remote Similarity NPD6959 Discontinued

Structure

External Identifiers

PubChem CID   76326371
ChEMBL   CHEMBL2252212
ZINC  

Physicochemical Properties

Molecular Weight:  1250.61
ALogP:  -4.7006
MLogP:  5.64
XLogP:  5.543
# Rotatable Bonds:  38
Polar Surface Area:  400.43
# H-Bond Aceptor:  25
# H-Bond Donor:  14
# Rings:  10
# Heavy Atoms:  88

Download Data

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General Info & Identifiers & Properties  
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Biological Activities  
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