Natural Product: NPC329657

Natural Product ID:  NPC329657
Common Name:   Symplocososide N
IUPAC Name:   (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-(2-methylbutanoyloxy)-10-[(E)-3-phenylprop-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
Synonyms:   symplocososide N
Molecular Formula:   C56H82O19
Standard InCHIKey:  VWGRQOQBKGDNRR-YJIUYGCQSA-N
Standard InCHI:  InChI=1S/C56H82O19/c1-10-27(2)48(69)75-46-45(72-35(59)19-16-28-14-12-11-13-15-28)51(3,4)24-30-29-17-18-33-53(7)22-21-34(52(5,6)32(53)20-23-54(33,8)55(29,9)43(65)44(66)56(30,46)26-58)71-50-42(39(63)38(62)41(73-50)47(67)68)74-49-40(64)37(61)36(60)31(25-57)70-49/h11-17,19,27,30-34,36-46,49-50,57-58,60-66H,10,18,20-26H2,1-9H3,(H,67,68)/b19-16+/t27?,30-,31+,32-,33+,34-,36+,37-,38-,39-,40+,41-,42+,43-,44+,45-,46-,49-,50+,53-,54+,55-,56-/m0/s1
Canonical SMILES:  CCC(C(=O)O[C@H]1[C@H](OC(=O)/C=C/c2ccccc2)C(C)(C)C[C@@H]2[C@@]1(CO)[C@H](O)[C@H](O)[C@@]1(C2=CC[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](C1(C)C)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O)C)C
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
NPO8121 Symplocos chinensis Species Symplocaceae Eukaryota roots Nanning City, Guangxi Province, People's Republic of China 1997-JAN PMID[17190442]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT179 Cell Line A2780 Homo sapiens IC50 = 3200 nM 12713399
NPT81 Cell Line A549 Homo sapiens IC50 > 10000 nM 23252603
NPT181 Cell Line Bel-7402 Homo sapiens IC50 = 1700 nM 16933872
NPT180 Cell Line HCT-8 Homo sapiens IC50 = 1800 nM 15026054
NPT547 Cell Line BGC-823 Homo sapiens IC50 > 10000 nM 19601607

  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 NPC329657 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
0.986 High Similarity NPC69425
0.9392 High Similarity NPC477472
0.9392 High Similarity NPC477474
0.9392 High Similarity NPC477470
0.9338 High Similarity NPC329960
0.9338 High Similarity NPC295408
0.9338 High Similarity NPC150893
0.9329 High Similarity NPC477467
0.9167 High Similarity NPC111466
0.9161 High Similarity NPC475513
0.9161 High Similarity NPC473755
0.9103 High Similarity NPC40085
0.9103 High Similarity NPC264270
0.8917 High Similarity NPC477469
0.8917 High Similarity NPC477471
0.8917 High Similarity NPC477473
0.8917 High Similarity NPC477466
0.8854 High Similarity NPC102465
0.8774 High Similarity NPC475536
0.8774 High Similarity NPC165234
0.8718 High Similarity NPC475505
0.8718 High Similarity NPC475437
0.8718 High Similarity NPC475464
0.8718 High Similarity NPC473641
0.8718 High Similarity NPC473797
0.8718 High Similarity NPC475300
0.8642 High Similarity NPC124828
0.8591 High Similarity NPC277053
0.8591 High Similarity NPC301946
0.8562 High Similarity NPC472030
0.8562 High Similarity NPC472022
0.8562 High Similarity NPC473414
0.8562 High Similarity NPC257213
0.8562 High Similarity NPC472005
0.8562 High Similarity NPC158333
0.8562 High Similarity NPC1173
0.8562 High Similarity NPC265395
0.8562 High Similarity NPC237549
0.8562 High Similarity NPC242262
0.8562 High Similarity NPC304876
0.8562 High Similarity NPC256142
0.8562 High Similarity NPC249471
0.8544 High Similarity NPC471493
0.8523 High Similarity NPC471912
0.8523 High Similarity NPC80895
0.8516 High Similarity NPC477735
0.8506 High Similarity NPC112523
0.8506 High Similarity NPC228204
0.8506 High Similarity NPC114410
0.8506 High Similarity NPC26033
0.8506 High Similarity NPC472549
0.85 High Similarity NPC469420
0.8487 Intermediate Similarity NPC7095
0.8462 Intermediate Similarity NPC477736
0.8442 Intermediate Similarity NPC77719
0.8421 Intermediate Similarity NPC250046
0.8421 Intermediate Similarity NPC60509
0.8421 Intermediate Similarity NPC81698
0.8397 Intermediate Similarity NPC469417
0.8397 Intermediate Similarity NPC469771
0.8377 Intermediate Similarity NPC472548
0.8377 Intermediate Similarity NPC477905
0.8369 Intermediate Similarity NPC477077
0.8369 Intermediate Similarity NPC477076
0.8369 Intermediate Similarity NPC477079
0.8369 Intermediate Similarity NPC470913
0.8366 Intermediate Similarity NPC165260
0.8366 Intermediate Similarity NPC161239
0.8366 Intermediate Similarity NPC112216
0.8366 Intermediate Similarity NPC198455
0.8344 Intermediate Similarity NPC471102
0.8344 Intermediate Similarity NPC469399
0.8333 Intermediate Similarity NPC106895
0.8322 Intermediate Similarity NPC225791
0.8312 Intermediate Similarity NPC101043
0.8312 Intermediate Similarity NPC306799
0.831 Intermediate Similarity NPC477197
0.831 Intermediate Similarity NPC190849
0.831 Intermediate Similarity NPC171007
0.8301 Intermediate Similarity NPC474564
0.8298 Intermediate Similarity NPC475281
0.8298 Intermediate Similarity NPC477075
0.8298 Intermediate Similarity NPC329923
0.8298 Intermediate Similarity NPC477191
0.8298 Intermediate Similarity NPC477193
0.8298 Intermediate Similarity NPC477194
0.8298 Intermediate Similarity NPC477078
0.8298 Intermediate Similarity NPC477192
0.8293 Intermediate Similarity NPC469421
0.8269 Intermediate Similarity NPC5115
0.8269 Intermediate Similarity NPC282239
0.8261 Intermediate Similarity NPC477491
0.8252 Intermediate Similarity NPC478153
0.8252 Intermediate Similarity NPC30279
0.8252 Intermediate Similarity NPC46823
0.8252 Intermediate Similarity NPC178264
0.8252 Intermediate Similarity NPC71391
0.8252 Intermediate Similarity NPC312650
0.8252 Intermediate Similarity NPC478152
0.8252 Intermediate Similarity NPC277212
0.8252 Intermediate Similarity NPC478150
0.8252 Intermediate Similarity NPC192765
0.8252 Intermediate Similarity NPC473918
0.8247 Intermediate Similarity NPC475447
0.8247 Intermediate Similarity NPC476092
0.8247 Intermediate Similarity NPC70236
0.8247 Intermediate Similarity NPC475218
0.8243 Intermediate Similarity NPC184109
0.8239 Intermediate Similarity NPC470912
0.8239 Intermediate Similarity NPC107536
0.8239 Intermediate Similarity NPC477196
0.8239 Intermediate Similarity NPC82380
0.8239 Intermediate Similarity NPC273878
0.8239 Intermediate Similarity NPC252289
0.8239 Intermediate Similarity NPC269484
0.8239 Intermediate Similarity NPC9470
0.8239 Intermediate Similarity NPC1314
0.8239 Intermediate Similarity NPC305793
0.8239 Intermediate Similarity NPC252657
0.8239 Intermediate Similarity NPC97918
0.8239 Intermediate Similarity NPC280029
0.8239 Intermediate Similarity NPC11577
0.8239 Intermediate Similarity NPC244296
0.8239 Intermediate Similarity NPC470518
0.8239 Intermediate Similarity NPC115656
0.8239 Intermediate Similarity NPC472267
0.8239 Intermediate Similarity NPC141600
0.8239 Intermediate Similarity NPC88311
0.8228 Intermediate Similarity NPC476784
0.8224 Intermediate Similarity NPC127857
0.8221 Intermediate Similarity NPC278272
0.8221 Intermediate Similarity NPC477488
0.8221 Intermediate Similarity NPC120667
0.8217 Intermediate Similarity NPC217091
0.8205 Intermediate Similarity NPC133430
0.8205 Intermediate Similarity NPC469477
0.8194 Intermediate Similarity NPC51602
0.8194 Intermediate Similarity NPC471103
0.8194 Intermediate Similarity NPC237182
0.8194 Intermediate Similarity NPC478151
0.8194 Intermediate Similarity NPC226101
0.8193 Intermediate Similarity NPC471871
0.8182 Intermediate Similarity NPC271610
0.8182 Intermediate Similarity NPC476774
0.8182 Intermediate Similarity NPC476074
0.8182 Intermediate Similarity NPC476775
0.8182 Intermediate Similarity NPC134914
0.8182 Intermediate Similarity NPC262796
0.8182 Intermediate Similarity NPC329993
0.8182 Intermediate Similarity NPC478155
0.8182 Intermediate Similarity NPC475377
0.8182 Intermediate Similarity NPC301639
0.8182 Intermediate Similarity NPC264566
0.8182 Intermediate Similarity NPC45346
0.8182 Intermediate Similarity NPC475167
0.8182 Intermediate Similarity NPC25998
0.8182 Intermediate Similarity NPC478065
0.8182 Intermediate Similarity NPC478064
0.8182 Intermediate Similarity NPC172374
0.8182 Intermediate Similarity NPC173435
0.8182 Intermediate Similarity NPC476780
0.817 Intermediate Similarity NPC474241
0.8165 Intermediate Similarity NPC472393
0.8153 Intermediate Similarity NPC21410
0.8153 Intermediate Similarity NPC473670
0.8151 Intermediate Similarity NPC476976
0.8151 Intermediate Similarity NPC209851
0.8151 Intermediate Similarity NPC80599
0.8148 Intermediate Similarity NPC473468
0.8148 Intermediate Similarity NPC475567
0.8148 Intermediate Similarity NPC473557
0.8146 Intermediate Similarity NPC182869
0.8138 Intermediate Similarity NPC473443
0.8133 Intermediate Similarity NPC13989
0.8129 Intermediate Similarity NPC469448
0.8125 Intermediate Similarity NPC476776
0.8125 Intermediate Similarity NPC477195
0.8125 Intermediate Similarity NPC231627
0.8125 Intermediate Similarity NPC230331
0.8125 Intermediate Similarity NPC478154
0.8121 Intermediate Similarity NPC471870
0.8112 Intermediate Similarity NPC265841
0.8112 Intermediate Similarity NPC47995
0.8098 Intermediate Similarity NPC475531
0.8098 Intermediate Similarity NPC475198
0.8098 Intermediate Similarity NPC475175
0.8095 Intermediate Similarity NPC475613
0.8095 Intermediate Similarity NPC15850
0.8092 Intermediate Similarity NPC477468
0.8089 Intermediate Similarity NPC219419
0.8082 Intermediate Similarity NPC476977
0.8082 Intermediate Similarity NPC110700
0.8082 Intermediate Similarity NPC279915
0.8077 Intermediate Similarity NPC470153
0.8075 Intermediate Similarity NPC275477
0.8069 Intermediate Similarity NPC225103
0.8065 Intermediate Similarity NPC476975
0.8063 Intermediate Similarity NPC477623
0.8052 Intermediate Similarity NPC477737
0.8038 Intermediate Similarity NPC114357

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC329657 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
0.8095 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7952 Intermediate Similarity NPD7799 Discontinued
0.7765 Intermediate Similarity NPD8368 Discontinued
0.7762 Intermediate Similarity NPD8328 Phase 3
0.763 Intermediate Similarity NPD8407 Phase 2
0.7588 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7472 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7471 Intermediate Similarity NPD8312 Approved
0.7471 Intermediate Similarity NPD8313 Approved
0.7465 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7458 Intermediate Similarity NPD8435 Approved
0.7421 Intermediate Similarity NPD7236 Approved
0.7377 Intermediate Similarity NPD8486 Clinical (unspecified phase)
0.736 Intermediate Similarity NPD8361 Approved
0.736 Intermediate Similarity NPD8360 Approved
0.7345 Intermediate Similarity NPD8424 Clinical (unspecified phase)
0.7301 Intermediate Similarity NPD7239 Suspended
0.7219 Intermediate Similarity NPD8320 Phase 1
0.7219 Intermediate Similarity NPD8319 Approved
0.7213 Intermediate Similarity NPD8485 Approved
0.7188 Intermediate Similarity NPD8166 Discontinued
0.7186 Intermediate Similarity NPD8455 Phase 2
0.7151 Intermediate Similarity NPD8434 Phase 2
0.7151 Intermediate Similarity NPD8150 Discontinued
0.7117 Intermediate Similarity NPD8389 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD7266 Discontinued
0.7095 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7086 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD7700 Phase 2
0.7081 Intermediate Similarity NPD7699 Phase 2
0.7029 Intermediate Similarity NPD7228 Approved
0.7027 Intermediate Similarity NPD8515 Approved
0.7027 Intermediate Similarity NPD8517 Approved
0.7027 Intermediate Similarity NPD8516 Approved
0.7027 Intermediate Similarity NPD8513 Phase 3
0.7022 Intermediate Similarity NPD7808 Phase 3
0.6987 Remote Similarity NPD7961 Discontinued
0.6984 Remote Similarity NPD7435 Discontinued
0.6978 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6966 Remote Similarity NPD6010 Discontinued
0.6966 Remote Similarity NPD7240 Approved
0.6966 Remote Similarity NPD7251 Discontinued
0.6946 Remote Similarity NPD7458 Discontinued
0.6933 Remote Similarity NPD6190 Approved
0.6932 Remote Similarity NPD3751 Discontinued
0.6919 Remote Similarity NPD6534 Approved
0.6919 Remote Similarity NPD6535 Approved
0.691 Remote Similarity NPD6797 Phase 2
0.6901 Remote Similarity NPD7057 Phase 3
0.6901 Remote Similarity NPD7058 Phase 2
0.6897 Remote Similarity NPD3787 Discontinued
0.6891 Remote Similarity NPD8151 Discontinued
0.6871 Remote Similarity NPD4198 Discontinued
0.6863 Remote Similarity NPD7736 Approved
0.6859 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6856 Remote Similarity NPD7874 Approved
0.6856 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6839 Remote Similarity NPD8127 Discontinued
0.6818 Remote Similarity NPD7319 Approved
0.6806 Remote Similarity NPD7697 Approved
0.6806 Remote Similarity NPD7696 Phase 3
0.6806 Remote Similarity NPD7698 Approved
0.6803 Remote Similarity NPD2629 Approved
0.6771 Remote Similarity NPD7870 Phase 2
0.6771 Remote Similarity NPD7871 Phase 2
0.676 Remote Similarity NPD7074 Phase 3
0.676 Remote Similarity NPD7472 Approved
0.6755 Remote Similarity NPD5126 Approved
0.6755 Remote Similarity NPD5125 Phase 3
0.6753 Remote Similarity NPD7701 Phase 2
0.674 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6737 Remote Similarity NPD6777 Approved
0.6737 Remote Similarity NPD6779 Approved
0.6737 Remote Similarity NPD6776 Approved
0.6737 Remote Similarity NPD6780 Approved
0.6737 Remote Similarity NPD6778 Approved
0.6737 Remote Similarity NPD6782 Approved
0.6737 Remote Similarity NPD6781 Approved
0.6732 Remote Similarity NPD7507 Approved
0.6725 Remote Similarity NPD37 Approved
0.6722 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6705 Remote Similarity NPD4965 Approved
0.6705 Remote Similarity NPD4967 Phase 2
0.6705 Remote Similarity NPD4966 Approved
0.6704 Remote Similarity NPD7054 Approved
0.6689 Remote Similarity NPD8033 Approved
0.6689 Remote Similarity NPD7503 Approved
0.6686 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6685 Remote Similarity NPD7685 Pre-registration
0.6667 Remote Similarity NPD6686 Approved
0.6667 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7075 Discontinued
0.665 Remote Similarity NPD7801 Approved
0.6643 Remote Similarity NPD5048 Discontinued
0.6629 Remote Similarity NPD6234 Discontinued
0.6623 Remote Similarity NPD8377 Approved
0.6623 Remote Similarity NPD8294 Approved
0.6621 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6605 Remote Similarity NPD7097 Phase 1
0.6601 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6596 Remote Similarity NPD6212 Phase 3
0.6596 Remote Similarity NPD6213 Phase 3
0.6596 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6579 Remote Similarity NPD8379 Approved
0.6579 Remote Similarity NPD8378 Approved
0.6579 Remote Similarity NPD8296 Approved
0.6579 Remote Similarity NPD8380 Approved
0.6579 Remote Similarity NPD8335 Approved
0.6573 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6566 Remote Similarity NPD4628 Phase 3
0.6554 Remote Similarity NPD6858 Approved
0.6554 Remote Similarity NPD8133 Approved
0.6554 Remote Similarity NPD7094 Approved
0.6536 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6536 Remote Similarity NPD6166 Phase 2
0.6536 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6536 Remote Similarity NPD6370 Approved
0.6533 Remote Similarity NPD8462 Phase 1
0.6527 Remote Similarity NPD7274 Clinical (unspecified phase)
0.6512 Remote Similarity NPD6599 Discontinued
0.6506 Remote Similarity NPD6674 Discontinued
0.6494 Remote Similarity NPD7819 Suspended
0.6482 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6482 Remote Similarity NPD7783 Phase 2
0.6474 Remote Similarity NPD8293 Discontinued
0.6464 Remote Similarity NPD3818 Discontinued
0.6463 Remote Similarity NPD2067 Discontinued
0.6461 Remote Similarity NPD7199 Phase 2
0.6452 Remote Similarity NPD7492 Approved
0.6447 Remote Similarity NPD7516 Approved
0.6441 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6438 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6438 Remote Similarity NPD7008 Discontinued
0.6437 Remote Similarity NPD6801 Discontinued
0.6429 Remote Similarity NPD5844 Phase 1
0.642 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6416 Remote Similarity NPD4380 Phase 2
0.6413 Remote Similarity NPD6559 Discontinued
0.6412 Remote Similarity NPD7004 Clinical (unspecified phase)
0.641 Remote Similarity NPD6616 Approved
0.641 Remote Similarity NPD6823 Phase 2
0.6409 Remote Similarity NPD7473 Discontinued
0.6405 Remote Similarity NPD6319 Approved
0.6405 Remote Similarity NPD7741 Discontinued
0.6405 Remote Similarity NPD6054 Approved
0.6404 Remote Similarity NPD8404 Phase 2
0.6396 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6382 Remote Similarity NPD7327 Approved
0.6382 Remote Similarity NPD7328 Approved
0.6378 Remote Similarity NPD7680 Approved
0.6377 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6369 Remote Similarity NPD8074 Phase 3
0.6369 Remote Similarity NPD7078 Approved
0.6364 Remote Similarity NPD5402 Approved
0.6364 Remote Similarity NPD3817 Phase 2
0.6353 Remote Similarity NPD6143 Clinical (unspecified phase)
0.634 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6333 Remote Similarity NPD6232 Discontinued
0.6316 Remote Similarity NPD7115 Discovery
0.6291 Remote Similarity NPD4869 Clinical (unspecified phase)
0.6287 Remote Similarity NPD5763 Approved
0.6287 Remote Similarity NPD5762 Approved
0.628 Remote Similarity NPD6355 Discontinued
0.6279 Remote Similarity NPD6273 Approved
0.6278 Remote Similarity NPD6959 Discontinued
0.6276 Remote Similarity NPD6647 Phase 2
0.6272 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6272 Remote Similarity NPD7003 Approved
0.6271 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6267 Remote Similarity NPD969 Suspended
0.6267 Remote Similarity NPD8297 Approved
0.6267 Remote Similarity NPD6882 Approved
0.6264 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6259 Remote Similarity NPD6685 Approved
0.6258 Remote Similarity NPD6016 Approved
0.6258 Remote Similarity NPD6015 Approved
0.6257 Remote Similarity NPD6799 Approved
0.625 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6243 Remote Similarity NPD5403 Approved
0.6237 Remote Similarity NPD6765 Approved
0.6237 Remote Similarity NPD6764 Approved
0.6235 Remote Similarity NPD7095 Approved
0.6222 Remote Similarity NPD5494 Approved
0.6221 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6221 Remote Similarity NPD5401 Approved
0.6218 Remote Similarity NPD5988 Approved
0.6215 Remote Similarity NPD5760 Phase 2
0.6215 Remote Similarity NPD5761 Phase 2
0.6212 Remote Similarity NPD7497 Discontinued
0.6211 Remote Similarity NPD5736 Approved
0.6209 Remote Similarity NPD6009 Approved
0.6209 Remote Similarity NPD3317 Approved
0.62 Remote Similarity NPD4141 Clinical (unspecified phase)
0.62 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6196 Remote Similarity NPD6798 Discontinued
0.6194 Remote Similarity NPD6059 Approved
0.6193 Remote Similarity NPD7411 Suspended
0.619 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6181 Remote Similarity NPD7798 Approved
0.6178 Remote Similarity NPD7457 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   16099390
ChEMBL   CHEMBL509000
ZINC  

Physicochemical Properties

Molecular Weight:  1058.55
ALogP:  -2.6055
MLogP:  5.53
XLogP:  8.078
# Rotatable Bonds:  34
Polar Surface Area:  308.89
# H-Bond Aceptor:  19
# H-Bond Donor:  10
# Rings:  8
# Heavy Atoms:  75

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Biological Activities  
Similar NPs/Drugs