Natural Product: NPC264270

Natural Product ID:  NPC264270
Common Name:   Pachyelaside C
IUPAC Name:   (3S,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5R)-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-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-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:   C67H100O28
Standard InCHIKey:  HPWHBQBEUIHTFN-GQPKTZSISA-N
Standard InCHI:  InChI=1S/C67H100O28/c1-62(2)23-32-31-14-15-39-64(5)19-18-40(63(3,4)38(64)17-20-66(39,7)65(31,6)21-22-67(32,61(83)84)24-41(62)90-42(73)16-13-30-11-9-8-10-12-30)91-59-55(50(81)53(37(27-70)89-59)93-56-48(79)43(74)33(71)28-85-56)94-57-51(82)52(34(72)29-86-57)92-60-54(47(78)45(76)36(26-69)88-60)95-58-49(80)46(77)44(75)35(25-68)87-58/h8-14,16,32-41,43-60,68-72,74-82H,15,17-29H2,1-7H3,(H,83,84)/b16-13+/t32-,33+,34+,35+,36+,37+,38-,39+,40-,41-,43-,44+,45+,46-,47-,48+,49+,50-,51+,52-,53+,54+,55+,56-,57-,58-,59-,60-,64-,65+,66+,67+/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[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O[C@@H]1OC[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 NPC264270 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
1.0 High Similarity NPC40085
0.9926 High Similarity NPC111466
0.9214 High Similarity NPC473755
0.9214 High Similarity NPC475513
0.9122 High Similarity NPC477467
0.9103 High Similarity NPC329657
0.9054 High Similarity NPC477470
0.9054 High Similarity NPC477474
0.9054 High Similarity NPC477472
0.898 High Similarity NPC69425
0.8759 High Similarity NPC471024
0.8758 High Similarity NPC475505
0.8758 High Similarity NPC475437
0.8758 High Similarity NPC475300
0.8758 High Similarity NPC473797
0.8758 High Similarity NPC475464
0.8758 High Similarity NPC473641
0.875 High Similarity NPC10121
0.875 High Similarity NPC124878
0.875 High Similarity NPC92283
0.875 High Similarity NPC63404
0.875 High Similarity NPC290276
0.875 High Similarity NPC10883
0.875 High Similarity NPC231888
0.875 High Similarity NPC35338
0.875 High Similarity NPC198918
0.875 High Similarity NPC204214
0.8693 High Similarity NPC475536
0.8693 High Similarity NPC165234
0.8686 High Similarity NPC471025
0.8676 High Similarity NPC28069
0.8676 High Similarity NPC77651
0.8649 High Similarity NPC476092
0.8649 High Similarity NPC475447
0.8649 High Similarity NPC475218
0.8649 High Similarity NPC70236
0.8636 High Similarity NPC295408
0.8636 High Similarity NPC150893
0.8636 High Similarity NPC329960
0.8618 High Similarity NPC476784
0.8613 High Similarity NPC190849
0.8613 High Similarity NPC147032
0.8613 High Similarity NPC171007
0.8603 High Similarity NPC87153
0.8603 High Similarity NPC162925
0.8599 High Similarity NPC477469
0.8599 High Similarity NPC477466
0.8599 High Similarity NPC477471
0.8599 High Similarity NPC477473
0.859 High Similarity NPC475175
0.859 High Similarity NPC475198
0.859 High Similarity NPC475531
0.8581 High Similarity NPC474564
0.8526 High Similarity NPC475567
0.8526 High Similarity NPC473468
0.8526 High Similarity NPC473557
0.85 High Similarity NPC13989
0.8481 Intermediate Similarity NPC278272
0.8481 Intermediate Similarity NPC120667
0.844 Intermediate Similarity NPC80599
0.8429 Intermediate Similarity NPC473443
0.8395 Intermediate Similarity NPC475649
0.8385 Intermediate Similarity NPC469776
0.8385 Intermediate Similarity NPC32723
0.8385 Intermediate Similarity NPC469777
0.8385 Intermediate Similarity NPC135334
0.8385 Intermediate Similarity NPC469774
0.8385 Intermediate Similarity NPC469773
0.8385 Intermediate Similarity NPC469775
0.8385 Intermediate Similarity NPC469778
0.8385 Intermediate Similarity NPC295941
0.8385 Intermediate Similarity NPC469772
0.8385 Intermediate Similarity NPC100925
0.8365 Intermediate Similarity NPC477488
0.8357 Intermediate Similarity NPC225103
0.8345 Intermediate Similarity NPC471026
0.8333 Intermediate Similarity NPC475345
0.8333 Intermediate Similarity NPC124828
0.8323 Intermediate Similarity NPC477623
0.8298 Intermediate Similarity NPC472388
0.8298 Intermediate Similarity NPC475138
0.8286 Intermediate Similarity NPC230331
0.8278 Intermediate Similarity NPC469448
0.8252 Intermediate Similarity NPC472437
0.8239 Intermediate Similarity NPC472361
0.8235 Intermediate Similarity NPC472657
0.8235 Intermediate Similarity NPC472658
0.821 Intermediate Similarity NPC476113
0.8201 Intermediate Similarity NPC220838
0.8201 Intermediate Similarity NPC45606
0.8188 Intermediate Similarity NPC141970
0.8188 Intermediate Similarity NPC297950
0.8188 Intermediate Similarity NPC140561
0.8187 Intermediate Similarity NPC469420
0.8187 Intermediate Similarity NPC102465
0.8182 Intermediate Similarity NPC209851
0.8182 Intermediate Similarity NPC469398
0.8182 Intermediate Similarity NPC475493
0.8176 Intermediate Similarity NPC477491
0.8158 Intermediate Similarity NPC475561
0.8158 Intermediate Similarity NPC475417
0.8156 Intermediate Similarity NPC195224
0.8143 Intermediate Similarity NPC470816
0.8112 Intermediate Similarity NPC305162
0.8092 Intermediate Similarity NPC270590
0.8092 Intermediate Similarity NPC301556
0.8092 Intermediate Similarity NPC266265
0.8092 Intermediate Similarity NPC471101
0.8092 Intermediate Similarity NPC92293
0.8085 Intermediate Similarity NPC222951
0.8085 Intermediate Similarity NPC311178
0.8085 Intermediate Similarity NPC43589
0.8085 Intermediate Similarity NPC300655
0.8077 Intermediate Similarity NPC469417
0.8071 Intermediate Similarity NPC471758
0.8071 Intermediate Similarity NPC472269
0.8071 Intermediate Similarity NPC472270
0.8071 Intermediate Similarity NPC112492
0.8071 Intermediate Similarity NPC23020
0.8071 Intermediate Similarity NPC472268
0.8065 Intermediate Similarity NPC34066
0.8065 Intermediate Similarity NPC469422
0.8058 Intermediate Similarity NPC12016
0.8056 Intermediate Similarity NPC471880
0.8052 Intermediate Similarity NPC472548
0.8052 Intermediate Similarity NPC477905
0.8037 Intermediate Similarity NPC471870
0.8028 Intermediate Similarity NPC475177
0.8028 Intermediate Similarity NPC319719
0.8028 Intermediate Similarity NPC231627
0.8028 Intermediate Similarity NPC196874
0.8028 Intermediate Similarity NPC322904
0.8028 Intermediate Similarity NPC233223
0.8028 Intermediate Similarity NPC324933
0.8028 Intermediate Similarity NPC473679
0.8028 Intermediate Similarity NPC475444
0.8028 Intermediate Similarity NPC183816
0.8026 Intermediate Similarity NPC281717
0.8025 Intermediate Similarity NPC477736
0.8025 Intermediate Similarity NPC469399
0.8014 Intermediate Similarity NPC45821
0.8014 Intermediate Similarity NPC473399
0.8014 Intermediate Similarity NPC470818
0.8014 Intermediate Similarity NPC473216
0.8013 Intermediate Similarity NPC476973
0.8013 Intermediate Similarity NPC472571
0.8013 Intermediate Similarity NPC472572
0.8013 Intermediate Similarity NPC471104
0.8013 Intermediate Similarity NPC29704
0.8013 Intermediate Similarity NPC174982
0.8013 Intermediate Similarity NPC177940
0.8013 Intermediate Similarity NPC184817
0.8013 Intermediate Similarity NPC472575
0.8013 Intermediate Similarity NPC472568
0.8013 Intermediate Similarity NPC96903
0.8013 Intermediate Similarity NPC470157
0.8013 Intermediate Similarity NPC158663
0.8013 Intermediate Similarity NPC200471
0.8013 Intermediate Similarity NPC473088
0.8013 Intermediate Similarity NPC171525
0.8013 Intermediate Similarity NPC470159
0.8013 Intermediate Similarity NPC469349
0.8013 Intermediate Similarity NPC70403
0.8013 Intermediate Similarity NPC472556
0.8012 Intermediate Similarity NPC475613
0.8 Intermediate Similarity NPC477468
0.8 Intermediate Similarity NPC469742
0.8 Intermediate Similarity NPC256142
0.8 Intermediate Similarity NPC237549
0.8 Intermediate Similarity NPC257213
0.8 Intermediate Similarity NPC242262
0.8 Intermediate Similarity NPC473414
0.8 Intermediate Similarity NPC91703
0.8 Intermediate Similarity NPC1173
0.8 Intermediate Similarity NPC472005
0.8 Intermediate Similarity NPC158333
0.8 Intermediate Similarity NPC472030
0.8 Intermediate Similarity NPC472373
0.8 Intermediate Similarity NPC284957
0.8 Intermediate Similarity NPC265395
0.8 Intermediate Similarity NPC304876
0.8 Intermediate Similarity NPC472022
0.8 Intermediate Similarity NPC470815
0.8 Intermediate Similarity NPC470516
0.8 Intermediate Similarity NPC249471
0.7988 Intermediate Similarity NPC469421
0.7987 Intermediate Similarity NPC469415
0.7986 Intermediate Similarity NPC472418
0.7972 Intermediate Similarity NPC237182
0.7972 Intermediate Similarity NPC226101
0.7962 Intermediate Similarity NPC477735
0.7961 Intermediate Similarity NPC473602
0.7959 Intermediate Similarity NPC472372
0.7959 Intermediate Similarity NPC472374
0.7958 Intermediate Similarity NPC476972
0.7958 Intermediate Similarity NPC476971
0.7958 Intermediate Similarity NPC473423
0.7949 Intermediate Similarity NPC114410
0.7949 Intermediate Similarity NPC228204
0.7949 Intermediate Similarity NPC112523

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC264270 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
0.7635 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD8312 Approved
0.7485 Intermediate Similarity NPD8313 Approved
0.744 Intermediate Similarity NPD7799 Discontinued
0.7407 Intermediate Similarity NPD8455 Phase 2
0.7308 Intermediate Similarity NPD8166 Discontinued
0.7292 Intermediate Similarity NPD8328 Phase 3
0.7168 Intermediate Similarity NPD8368 Discontinued
0.7135 Intermediate Similarity NPD7228 Approved
0.7115 Intermediate Similarity NPD7266 Discontinued
0.7107 Intermediate Similarity NPD7236 Approved
0.7086 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD7240 Approved
0.7045 Intermediate Similarity NPD8407 Phase 2
0.7034 Intermediate Similarity NPD8517 Approved
0.7034 Intermediate Similarity NPD8515 Approved
0.7034 Intermediate Similarity NPD8516 Approved
0.7029 Intermediate Similarity NPD6686 Approved
0.7021 Intermediate Similarity NPD8133 Approved
0.7 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.6994 Remote Similarity NPD7239 Suspended
0.6993 Remote Similarity NPD7961 Discontinued
0.6966 Remote Similarity NPD8424 Clinical (unspecified phase)
0.6966 Remote Similarity NPD8377 Approved
0.6966 Remote Similarity NPD8294 Approved
0.6951 Remote Similarity NPD7458 Discontinued
0.6941 Remote Similarity NPD8127 Discontinued
0.6918 Remote Similarity NPD8380 Approved
0.6918 Remote Similarity NPD8335 Approved
0.6918 Remote Similarity NPD7503 Approved
0.6918 Remote Similarity NPD8378 Approved
0.6918 Remote Similarity NPD8379 Approved
0.6918 Remote Similarity NPD8296 Approved
0.6918 Remote Similarity NPD8513 Phase 3
0.6914 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6901 Remote Similarity NPD6858 Approved
0.6901 Remote Similarity NPD7094 Approved
0.6889 Remote Similarity NPD8361 Approved
0.6889 Remote Similarity NPD8360 Approved
0.6889 Remote Similarity NPD8435 Approved
0.6875 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6871 Remote Similarity NPD5126 Approved
0.6871 Remote Similarity NPD5125 Phase 3
0.6862 Remote Similarity NPD8320 Phase 1
0.6862 Remote Similarity NPD8319 Approved
0.6857 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6846 Remote Similarity NPD7507 Approved
0.6828 Remote Similarity NPD8486 Clinical (unspecified phase)
0.6826 Remote Similarity NPD37 Approved
0.6816 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6806 Remote Similarity NPD2629 Approved
0.6805 Remote Similarity NPD4967 Phase 2
0.6805 Remote Similarity NPD4966 Approved
0.6805 Remote Similarity NPD4965 Approved
0.6803 Remote Similarity NPD8033 Approved
0.6796 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6736 Remote Similarity NPD6010 Discontinued
0.6725 Remote Similarity NPD6234 Discontinued
0.672 Remote Similarity NPD7700 Phase 2
0.672 Remote Similarity NPD7699 Phase 2
0.6711 Remote Similarity NPD7319 Approved
0.6709 Remote Similarity NPD7097 Phase 1
0.6685 Remote Similarity NPD8434 Phase 2
0.6685 Remote Similarity NPD8150 Discontinued
0.6667 Remote Similarity NPD8485 Approved
0.6645 Remote Similarity NPD7008 Discontinued
0.6644 Remote Similarity NPD4198 Discontinued
0.6632 Remote Similarity NPD8151 Discontinued
0.6626 Remote Similarity NPD7274 Clinical (unspecified phase)
0.661 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6608 Remote Similarity NPD7058 Phase 2
0.6608 Remote Similarity NPD7057 Phase 3
0.6599 Remote Similarity NPD7328 Approved
0.6599 Remote Similarity NPD7327 Approved
0.6592 Remote Similarity NPD7685 Pre-registration
0.6573 Remote Similarity NPD7074 Phase 3
0.6564 Remote Similarity NPD4628 Phase 3
0.6559 Remote Similarity NPD6534 Approved
0.6559 Remote Similarity NPD6535 Approved
0.6554 Remote Similarity NPD7516 Approved
0.6545 Remote Similarity NPD7435 Discontinued
0.6528 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6528 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6524 Remote Similarity NPD6190 Approved
0.6522 Remote Similarity NPD7798 Approved
0.651 Remote Similarity NPD7741 Discontinued
0.6503 Remote Similarity NPD6674 Discontinued
0.65 Remote Similarity NPD6647 Phase 2
0.648 Remote Similarity NPD7782 Clinical (unspecified phase)
0.648 Remote Similarity NPD7472 Approved
0.648 Remote Similarity NPD7783 Phase 2
0.6479 Remote Similarity NPD6412 Phase 2
0.6479 Remote Similarity NPD6685 Approved
0.6474 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6467 Remote Similarity NPD6273 Approved
0.6464 Remote Similarity NPD7808 Phase 3
0.6463 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6463 Remote Similarity NPD7003 Approved
0.6458 Remote Similarity NPD7696 Phase 3
0.6458 Remote Similarity NPD7698 Approved
0.6458 Remote Similarity NPD7680 Approved
0.6458 Remote Similarity NPD7697 Approved
0.6454 Remote Similarity NPD5909 Discontinued
0.6452 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6444 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6443 Remote Similarity NPD7610 Discontinued
0.6429 Remote Similarity NPD7736 Approved
0.6429 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6429 Remote Similarity NPD7874 Approved
0.6425 Remote Similarity NPD7870 Phase 2
0.6425 Remote Similarity NPD7871 Phase 2
0.6425 Remote Similarity NPD7054 Approved
0.6421 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6417 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6417 Remote Similarity NPD6212 Phase 3
0.6417 Remote Similarity NPD6213 Phase 3
0.641 Remote Similarity NPD7701 Phase 2
0.6409 Remote Similarity NPD7251 Discontinued
0.6409 Remote Similarity NPD6559 Discontinued
0.6408 Remote Similarity NPD5048 Discontinued
0.6407 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6406 Remote Similarity NPD6823 Phase 2
0.6387 Remote Similarity NPD6778 Approved
0.6387 Remote Similarity NPD6776 Approved
0.6387 Remote Similarity NPD6779 Approved
0.6387 Remote Similarity NPD6777 Approved
0.6387 Remote Similarity NPD6780 Approved
0.6387 Remote Similarity NPD6782 Approved
0.6387 Remote Similarity NPD6781 Approved
0.6382 Remote Similarity NPD7457 Clinical (unspecified phase)
0.638 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6377 Remote Similarity NPD7902 Approved
0.6369 Remote Similarity NPD3751 Discontinued
0.6364 Remote Similarity NPD7199 Phase 2
0.6354 Remote Similarity NPD6797 Phase 2
0.6352 Remote Similarity NPD6663 Approved
0.6351 Remote Similarity NPD5951 Approved
0.6345 Remote Similarity NPD2067 Discontinued
0.6333 Remote Similarity NPD5844 Phase 1
0.6328 Remote Similarity NPD3787 Discontinued
0.6322 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6316 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6313 Remote Similarity NPD7801 Approved
0.6309 Remote Similarity NPD7115 Discovery
0.6306 Remote Similarity NPD5736 Approved
0.6301 Remote Similarity NPD7819 Suspended
0.6284 Remote Similarity NPD4869 Clinical (unspecified phase)
0.6277 Remote Similarity NPD7748 Approved
0.6277 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6276 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6268 Remote Similarity NPD5765 Approved
0.6259 Remote Similarity NPD6912 Phase 3
0.6257 Remote Similarity NPD5808 Clinical (unspecified phase)
0.625 Remote Similarity NPD6143 Clinical (unspecified phase)
0.625 Remote Similarity NPD7715 Approved
0.625 Remote Similarity NPD7714 Approved
0.6221 Remote Similarity NPD7028 Phase 2
0.6221 Remote Similarity NPD4380 Phase 2
0.6214 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6214 Remote Similarity NPD7638 Approved
0.6209 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6207 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6201 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6196 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6195 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6194 Remote Similarity NPD6637 Approved
0.6193 Remote Similarity NPD7075 Discontinued
0.619 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6188 Remote Similarity NPD3764 Approved
0.6188 Remote Similarity NPD3818 Discontinued
0.6173 Remote Similarity NPD6355 Discontinued
0.617 Remote Similarity NPD7640 Approved
0.617 Remote Similarity NPD2066 Phase 3
0.617 Remote Similarity NPD7639 Approved
0.6164 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6164 Remote Similarity NPD2182 Approved
0.6163 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6159 Remote Similarity NPD7900 Approved
0.6159 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6159 Remote Similarity NPD7305 Phase 1
0.6154 Remote Similarity NPD8074 Phase 3
0.6149 Remote Similarity NPD969 Suspended
0.6136 Remote Similarity NPD7768 Phase 2
0.6133 Remote Similarity NPD7473 Discontinued
0.6131 Remote Similarity NPD7515 Phase 2
0.6122 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6122 Remote Similarity NPD7497 Discontinued
0.6121 Remote Similarity NPD5405 Approved
0.6121 Remote Similarity NPD5406 Approved
0.6121 Remote Similarity NPD5404 Approved
0.6121 Remote Similarity NPD5408 Approved
0.6118 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6108 Remote Similarity NPD8658 Clinical (unspecified phase)
0.6105 Remote Similarity NPD1653 Approved
0.6104 Remote Similarity NPD6370 Approved
0.6098 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6093 Remote Similarity NPD3317 Approved
0.6089 Remote Similarity NPD6959 Discontinued
0.6087 Remote Similarity NPD6798 Discontinued

Structure

External Identifiers

PubChem CID   76319153
ChEMBL   CHEMBL2252210
ZINC  

Physicochemical Properties

Molecular Weight:  1352.64
ALogP:  -5.4261
MLogP:  5.75
XLogP:  4.063
# Rotatable Bonds:  40
Polar Surface Area:  439.12
# H-Bond Aceptor:  28
# H-Bond Donor:  15
# Rings:  11
# Heavy Atoms:  95

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Biological Activities  
Similar NPs/Drugs