Natural Product: NPC74035

Natural Product ID:  NPC74035
Common Name:   Bengamide A
IUPAC Name:   [(3S,6S)-7-oxo-6-[[(E,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8-methylnon-6-enoyl]amino]azepan-3-yl] tetradecanoate
Synonyms:  
Molecular Formula:   C31H56N2O8
Standard InCHIKey:  NKASPYGDXVCCTA-HADZOMMTSA-N
Standard InCHI:  InChI=1S/C31H56N2O8/c1-5-6-7-8-9-10-11-12-13-14-15-16-26(35)41-23-18-19-24(30(38)32-21-23)33-31(39)29(40-4)28(37)27(36)25(34)20-17-22(2)3/h17,20,22-25,27-29,34,36-37H,5-16,18-19,21H2,1-4H3,(H,32,38)(H,33,39)/b20-17+/t23-,24-,25+,27-,28+,29+/m0/s1
Canonical SMILES:  CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@H](C(=NC1)O)N=C([C@@H]([C@@H]([C@H]([C@@H](/C=C/C(C)C)O)O)O)OC)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
NPO33062 dorypleres splendens Species NA NA Fiji 1996 PMID[18327911]
NPO32703 pachastrissa sp. Species Calthropellidae Eukaryota PMID[10346943]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT573 Cell Line M19-MEL Homo sapiens GI50 3.296 nM PubChem BioAssay data set
NPT577 Cell Line RXF 631 Homo sapiens GI50 5.117 nM 25737008
NPT396 Cell Line T47D Homo sapiens GI50 10 nM 9873651
NPT368 Cell Line SN12C Homo sapiens GI50 5.42 nM 17524651
NPT399 Cell Line SF-295 Homo sapiens Activity = 0.001 ug/ml 11720861
NPT407 Cell Line COLO 205 Homo sapiens GI50 5.117 nM 19226154
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 18 nM 22409377
NPT383 Cell Line SNB-19 Homo sapiens GI50 11.48 nM 10869208
NPT148 Cell Line HCT-15 Homo sapiens GI50 298.54 nM 18407693
NPT572 Cell Line DMS-273 Homo sapiens GI50 5.117 nM 23398362
NPT5374 Individual Protein Methionine aminopeptidase 1 Homo sapiens IC50 = 2000 nM 23398362
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 14.69 nM 19928902
NPT387 Cell Line M14 Homo sapiens GI50 6.012 nM 10579873
NPT111 Cell Line K562 Homo sapiens GI50 5.117 nM 24893224
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 10.26 nM 18610999
NPT405 Cell Line NCI-H226 Homo sapiens GI50 144.88 nM 11929285
NPT371 Cell Line UO-31 Homo sapiens GI50 105.68 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 731.14 nM 22934537
NPT579 Cell Line DLD-1 Homo sapiens GI50 7.244 nM 1965200
NPT394 Cell Line EKVX Homo sapiens GI50 234.42 nM 17438054
NPT393 Cell Line HCT-116 Homo sapiens GI50 5.117 nM Open TG-GATES in vivo data: Hematology
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 8.279 nM DrugMatrix in vivo data: Biochemistry
NPT374 Cell Line SF-539 Homo sapiens GI50 19.68 nM 18809328
NPT390 Cell Line LOX IMVI Homo sapiens GI50 5.117 nM 26100440
NPT112 Cell Line MOLT-4 Homo sapiens GI50 5.117 nM 19961178
NPT575 Cell Line KM-20L2 Homo sapiens Activity = 0.0049 ug/ml 24720452
NPT90 Cell Line DU-145 Homo sapiens Activity = 0.0056 ug/ml 24720452
NPT369 Cell Line ACHN Homo sapiens GI50 59.16 nM 11975502
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 10.47 nM 9868159
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 38106.58 nM 23122818
NPT397 Cell Line NCI-H460 Homo sapiens GI50 5.117 nM 25819096
NPT455 Cell Line NCI-H522 Homo sapiens GI50 11.04 nM 22148349
NPT575 Cell Line KM-20L2 Homo sapiens GI50 4.498 nM 19226154
NPT83 Cell Line MCF7 Homo sapiens GI50 39.17 nM 17822300
NPT388 Cell Line NCI-H322M Homo sapiens GI50 28.91 nM 2809606
NPT385 Cell Line SR Homo sapiens GI50 31.62 nM 17854154
NPT403 Cell Line UACC-257 Homo sapiens GI50 20.46 nM 9784152
NPT458 Cell Line IGROV-1 Homo sapiens GI50 7.079 nM 18396905
NPT376 Cell Line A498 Homo sapiens GI50 38.9 nM 24507920
NPT386 Cell Line KM12 Homo sapiens GI50 5.117 nM 16441071
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 5176.07 nM 25136754
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 136.77 nM 25136754
NPT384 Cell Line TK-10 Homo sapiens GI50 72.61 nM 26273902
NPT379 Cell Line HOP-62 Homo sapiens GI50 234.96 nM 23985009
NPT308 Cell Line CAKI-1 Homo sapiens GI50 291.74 nM 18760601
NPT323 Cell Line SW-620 Homo sapiens GI50 5.117 nM 18183025
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 148.59 nM 23398362
NPT113 Cell Line RAW264.7 Mus musculus IC50 > 50000 nM 17320402
NPT2 Others Unspecified IC50 = 75 nM 24387347
NPT406 Cell Line RXF 393 Homo sapiens GI50 174.98 nM 25747495
NPT395 Cell Line SF-268 Homo sapiens GI50 8.933 nM 12617583
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 25.53 nM 19653640
NPT392 Cell Line SNB-75 Homo sapiens GI50 35.32 nM 26259802
NPT380 Cell Line U-251 Homo sapiens GI50 7.047 nM 8691203
NPT574 Cell Line XF498 Homo sapiens GI50 14.69 nM 8691203
NPT370 Cell Line NCI-H23 Homo sapiens GI50 11.3 nM 25819096
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 251.19 nM 17698630
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 6.339 nM 15711537
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 5.117 nM 10.6019/CHEMBL1201861
NPT5373 Individual Protein Methionine aminopeptidase 2 Homo sapiens IC50 = 11000 nM 19296616
NPT732 Cell Line HOP-18 Homo sapiens GI50 10000 nM 20585132
NPT375 Cell Line Malme-3M Homo sapiens GI50 14.76 nM 22583079
NPT81 Cell Line A549 Homo sapiens GI50 5.117 nM 20187635
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 203.7 nM 25871261
NPT576 Cell Line DMS-114 Homo sapiens GI50 5.117 nM 10096871
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 500 nM 12086485
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 500 nM 10.1016/0960-894X(95)00189-Z
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 1000 nM 10.1016/0960-894X(95)00189-Z
NPT402 Cell Line Hs-578T Homo sapiens GI50 237.14 nM 17850214
NPT398 Cell Line UACC-62 Homo sapiens GI50 5.117 nM 23398362
NPT399 Cell Line SF-295 Homo sapiens GI50 92.68 nM 8984148
NPT2 Others Unspecified Ratio = 2.3 19105653
NPT2 Others Unspecified Ratio = 1.4 19994846
NPT2 Others Unspecified Ratio = 2.1 15844964
NPT578 Cell Line SNB-78 Homo sapiens GI50 10000 nM 20594858
NPT1081 Cell Line BXPC-3 Homo sapiens Activity = 0.027 ug/ml 15332848
NPT116 Cell Line HL-60 Homo sapiens GI50 5.117 nM 21036050
NPT731 Cell Line LXFL 529 Homo sapiens GI50 3.864 nM 2809609
NPT306 Cell Line PC-3 Homo sapiens GI50 146.55 nM 23149227
NPT457 Cell Line BT-549 Homo sapiens GI50 952.8 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 5.117 nM 23327759
NPT139 Cell Line HT-29 Homo sapiens GI50 6.194 nM PubChem BioAssay data set
NPT367 Cell Line MDA-N Homo sapiens GI50 59.84 nM 16252912
NPT168 Cell Line P388 Mus musculus Activity = 0.12 ug/ml 7494145
NPT377 Cell Line OVCAR-3 Homo sapiens Activity = 0.01 ug/ml 23265253
NPT391 Cell Line HCC 2998 Homo sapiens GI50 117.49 nM 20056520
NPT397 Cell Line NCI-H460 Homo sapiens Activity = 0.00054 ug/ml 18591275
NPT372 Cell Line HOP-92 Homo sapiens GI50 20.37 nM 24079882
NPT2 Others Unspecified Ratio = 8.1 7853002

  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 NPC74035 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
0.8265 Intermediate Similarity NPC159369
0.8265 Intermediate Similarity NPC39290
0.8087 Intermediate Similarity NPC273185
0.8021 Intermediate Similarity NPC228638
0.787 Intermediate Similarity NPC475918
0.787 Intermediate Similarity NPC201128
0.7429 Intermediate Similarity NPC192066
0.7429 Intermediate Similarity NPC256570
0.7429 Intermediate Similarity NPC23454
0.7429 Intermediate Similarity NPC3568
0.7429 Intermediate Similarity NPC262312
0.7429 Intermediate Similarity NPC17290
0.7429 Intermediate Similarity NPC70323
0.7429 Intermediate Similarity NPC35269
0.7404 Intermediate Similarity NPC473581
0.7404 Intermediate Similarity NPC15851
0.7404 Intermediate Similarity NPC111567
0.7404 Intermediate Similarity NPC473950
0.7404 Intermediate Similarity NPC263545
0.7404 Intermediate Similarity NPC282705
0.7404 Intermediate Similarity NPC475125
0.7404 Intermediate Similarity NPC473604
0.7404 Intermediate Similarity NPC186840
0.7404 Intermediate Similarity NPC309898
0.7404 Intermediate Similarity NPC182632
0.7374 Intermediate Similarity NPC474312
0.7368 Intermediate Similarity NPC29501
0.732 Intermediate Similarity NPC474833
0.7317 Intermediate Similarity NPC477793
0.7317 Intermediate Similarity NPC329919
0.7308 Intermediate Similarity NPC242503
0.7308 Intermediate Similarity NPC43074
0.7308 Intermediate Similarity NPC74672
0.7308 Intermediate Similarity NPC209047
0.7308 Intermediate Similarity NPC139782
0.729 Intermediate Similarity NPC183449
0.729 Intermediate Similarity NPC8098
0.729 Intermediate Similarity NPC197294
0.729 Intermediate Similarity NPC45313
0.7281 Intermediate Similarity NPC251122
0.7264 Intermediate Similarity NPC158445
0.7264 Intermediate Similarity NPC157353
0.7264 Intermediate Similarity NPC54961
0.7264 Intermediate Similarity NPC282088
0.7264 Intermediate Similarity NPC156782
0.7238 Intermediate Similarity NPC475603
0.7238 Intermediate Similarity NPC61894
0.713 Intermediate Similarity NPC175614
0.7117 Intermediate Similarity NPC477198
0.7105 Intermediate Similarity NPC475150
0.7009 Intermediate Similarity NPC469865
0.6972 Remote Similarity NPC475503
0.693 Remote Similarity NPC154601
0.6907 Remote Similarity NPC288086
0.6891 Remote Similarity NPC471645
0.6842 Remote Similarity NPC14537
0.6837 Remote Similarity NPC217095
0.6837 Remote Similarity NPC264417
0.681 Remote Similarity NPC70235
0.6783 Remote Similarity NPC473252
0.6777 Remote Similarity NPC6531
0.6777 Remote Similarity NPC201968
0.6759 Remote Similarity NPC208537
0.6759 Remote Similarity NPC270005
0.6757 Remote Similarity NPC475646
0.6752 Remote Similarity NPC329305
0.6752 Remote Similarity NPC473578
0.675 Remote Similarity NPC472536
0.675 Remote Similarity NPC103391
0.6731 Remote Similarity NPC477199
0.6724 Remote Similarity NPC251330
0.6696 Remote Similarity NPC234542
0.6694 Remote Similarity NPC30196
0.6667 Remote Similarity NPC72401
0.6667 Remote Similarity NPC313670
0.6667 Remote Similarity NPC313333
0.6667 Remote Similarity NPC314512
0.6667 Remote Similarity NPC314451
0.6667 Remote Similarity NPC325339
0.6667 Remote Similarity NPC313342
0.6638 Remote Similarity NPC271269
0.6637 Remote Similarity NPC473224
0.6634 Remote Similarity NPC473984
0.6612 Remote Similarity NPC50694
0.6583 Remote Similarity NPC268327
0.6583 Remote Similarity NPC261750
0.6583 Remote Similarity NPC1111
0.6583 Remote Similarity NPC273215
0.6583 Remote Similarity NPC279383
0.6583 Remote Similarity NPC295444
0.6565 Remote Similarity NPC314361
0.6562 Remote Similarity NPC474812
0.6555 Remote Similarity NPC122926
0.6555 Remote Similarity NPC113012
0.6532 Remote Similarity NPC477515
0.6532 Remote Similarity NPC67917
0.6532 Remote Similarity NPC314268
0.6532 Remote Similarity NPC313802
0.6518 Remote Similarity NPC189629
0.6504 Remote Similarity NPC316325
0.6496 Remote Similarity NPC472615
0.6495 Remote Similarity NPC291196
0.6495 Remote Similarity NPC103712
0.6489 Remote Similarity NPC475472
0.6481 Remote Similarity NPC48338
0.6481 Remote Similarity NPC40376
0.6481 Remote Similarity NPC21208
0.6481 Remote Similarity NPC20339
0.6481 Remote Similarity NPC233551
0.6481 Remote Similarity NPC280621
0.6476 Remote Similarity NPC178758
0.6476 Remote Similarity NPC196102
0.6471 Remote Similarity NPC133729
0.6471 Remote Similarity NPC298484
0.6466 Remote Similarity NPC215988
0.6458 Remote Similarity NPC271921
0.6458 Remote Similarity NPC99619
0.6458 Remote Similarity NPC22101
0.6458 Remote Similarity NPC26500
0.6458 Remote Similarity NPC104537
0.6458 Remote Similarity NPC127091
0.6458 Remote Similarity NPC148192
0.6458 Remote Similarity NPC330426
0.6455 Remote Similarity NPC319473
0.6455 Remote Similarity NPC472197
0.6446 Remote Similarity NPC60432
0.6442 Remote Similarity NPC21693
0.6442 Remote Similarity NPC236649
0.6439 Remote Similarity NPC119794
0.6439 Remote Similarity NPC73829
0.6434 Remote Similarity NPC314282
0.6434 Remote Similarity NPC204556
0.6429 Remote Similarity NPC36954
0.641 Remote Similarity NPC472616
0.641 Remote Similarity NPC205176
0.6408 Remote Similarity NPC180725
0.6406 Remote Similarity NPC204639
0.6404 Remote Similarity NPC132931
0.6392 Remote Similarity NPC324981
0.6392 Remote Similarity NPC141481
0.6392 Remote Similarity NPC48218
0.6392 Remote Similarity NPC473559
0.6391 Remote Similarity NPC78189
0.6391 Remote Similarity NPC76999
0.6389 Remote Similarity NPC477959
0.6389 Remote Similarity NPC178215
0.6387 Remote Similarity NPC307903
0.6387 Remote Similarity NPC140251
0.6371 Remote Similarity NPC209734
0.6371 Remote Similarity NPC475642
0.637 Remote Similarity NPC230889
0.6364 Remote Similarity NPC239517
0.6364 Remote Similarity NPC12270
0.6364 Remote Similarity NPC473904
0.6355 Remote Similarity NPC471567
0.6355 Remote Similarity NPC120398
0.6355 Remote Similarity NPC329838
0.6355 Remote Similarity NPC477013
0.6355 Remote Similarity NPC329615
0.6355 Remote Similarity NPC477014
0.6355 Remote Similarity NPC322529
0.6349 Remote Similarity NPC473808
0.6348 Remote Similarity NPC233932
0.6348 Remote Similarity NPC225978
0.6348 Remote Similarity NPC255175
0.6348 Remote Similarity NPC271207
0.6348 Remote Similarity NPC206711
0.6346 Remote Similarity NPC470147
0.6346 Remote Similarity NPC133226
0.6343 Remote Similarity NPC235772
0.6343 Remote Similarity NPC280941
0.6343 Remote Similarity NPC75318
0.6339 Remote Similarity NPC5418
0.6336 Remote Similarity NPC121601
0.6336 Remote Similarity NPC471471
0.6336 Remote Similarity NPC313962
0.6336 Remote Similarity NPC164476
0.6333 Remote Similarity NPC474725
0.6333 Remote Similarity NPC474891
0.633 Remote Similarity NPC292345
0.633 Remote Similarity NPC89001
0.633 Remote Similarity NPC320458
0.633 Remote Similarity NPC473905
0.6328 Remote Similarity NPC315783
0.6328 Remote Similarity NPC16709
0.6328 Remote Similarity NPC316133
0.6328 Remote Similarity NPC318445
0.6327 Remote Similarity NPC45060
0.6327 Remote Similarity NPC280065
0.6325 Remote Similarity NPC469895
0.6325 Remote Similarity NPC55336
0.6321 Remote Similarity NPC470313
0.6321 Remote Similarity NPC155670
0.6321 Remote Similarity NPC95478
0.6321 Remote Similarity NPC38295
0.6321 Remote Similarity NPC156089
0.6321 Remote Similarity NPC473500
0.6321 Remote Similarity NPC145748
0.6316 Remote Similarity NPC40812
0.6311 Remote Similarity NPC248775

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC74035 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
0.9314 High Similarity NPD6421 Discontinued
0.7308 Intermediate Similarity NPD8522 Clinical (unspecified phase)
0.6818 Remote Similarity NPD4228 Discovery
0.6759 Remote Similarity NPD7983 Approved
0.6746 Remote Similarity NPD8273 Phase 1
0.6697 Remote Similarity NPD5781 Clinical (unspecified phase)
0.6695 Remote Similarity NPD6420 Discontinued
0.6667 Remote Similarity NPD8342 Approved
0.6667 Remote Similarity NPD8340 Approved
0.6667 Remote Similarity NPD8341 Approved
0.6667 Remote Similarity NPD8299 Approved
0.6538 Remote Similarity NPD8392 Approved
0.6538 Remote Similarity NPD8391 Approved
0.6538 Remote Similarity NPD8390 Approved
0.6514 Remote Similarity NPD6698 Approved
0.6514 Remote Similarity NPD46 Approved
0.6504 Remote Similarity NPD6935 Phase 3
0.6504 Remote Similarity NPD6936 Clinical (unspecified phase)
0.6504 Remote Similarity NPD7500 Approved
0.6486 Remote Similarity NPD8394 Approved
0.6484 Remote Similarity NPD4816 Clinical (unspecified phase)
0.6484 Remote Similarity NPD8451 Approved
0.6466 Remote Similarity NPD1407 Approved
0.6452 Remote Similarity NPD7641 Discontinued
0.6434 Remote Similarity NPD8448 Approved
0.6429 Remote Similarity NPD8444 Approved
0.6364 Remote Similarity NPD7116 Clinical (unspecified phase)
0.6364 Remote Similarity NPD1719 Phase 1
0.6333 Remote Similarity NPD6413 Approved
0.633 Remote Similarity NPD618 Clinical (unspecified phase)
0.6328 Remote Similarity NPD7829 Approved
0.6328 Remote Similarity NPD7830 Approved
0.6328 Remote Similarity NPD7642 Approved
0.6325 Remote Similarity NPD2258 Approved
0.6325 Remote Similarity NPD2259 Approved
0.6273 Remote Similarity NPD3716 Discontinued
0.6228 Remote Similarity NPD7839 Suspended
0.6216 Remote Similarity NPD6094 Approved
0.6216 Remote Similarity NPD6095 Approved
0.6214 Remote Similarity NPD3160 Suspended
0.619 Remote Similarity NPD6918 Phase 1
0.6183 Remote Similarity NPD8074 Phase 3
0.6154 Remote Similarity NPD7917 Clinical (unspecified phase)
0.6154 Remote Similarity NPD7918 Clinical (unspecified phase)
0.6148 Remote Similarity NPD4738 Phase 2
0.6124 Remote Similarity NPD7624 Clinical (unspecified phase)
0.6124 Remote Similarity NPD7623 Phase 3
0.6111 Remote Similarity NPD7505 Discontinued
0.6091 Remote Similarity NPD4250 Approved
0.6091 Remote Similarity NPD4251 Approved
0.6087 Remote Similarity NPD6428 Approved
0.6083 Remote Similarity NPD4211 Phase 1
0.6071 Remote Similarity NPD7838 Discovery
0.6063 Remote Similarity NPD7756 Clinical (unspecified phase)
0.6058 Remote Similarity NPD8387 Clinical (unspecified phase)
0.6038 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6019 Remote Similarity NPD7154 Phase 3
0.6 Remote Similarity NPD4249 Approved
0.5985 Remote Similarity NPD8415 Approved
0.5984 Remote Similarity NPD8137 Clinical (unspecified phase)
0.5968 Remote Similarity NPD2204 Approved
0.595 Remote Similarity NPD5357 Phase 1
0.594 Remote Similarity NPD7747 Phase 1
0.594 Remote Similarity NPD7746 Phase 1
0.5935 Remote Similarity NPD6941 Approved
0.5926 Remote Similarity NPD7345 Approved
0.592 Remote Similarity NPD6429 Approved
0.592 Remote Similarity NPD6430 Approved
0.5909 Remote Similarity NPD619 Phase 3
0.5849 Remote Similarity NPD4271 Approved
0.5849 Remote Similarity NPD3732 Approved
0.5849 Remote Similarity NPD4268 Approved
0.584 Remote Similarity NPD8413 Clinical (unspecified phase)
0.5826 Remote Similarity NPD5779 Approved
0.5826 Remote Similarity NPD5778 Approved
0.5816 Remote Similarity NPD3197 Phase 1
0.5809 Remote Similarity NPD6914 Discontinued
0.5806 Remote Similarity NPD8305 Approved
0.5806 Remote Similarity NPD8306 Approved
0.5802 Remote Similarity NPD8274 Clinical (unspecified phase)
0.5802 Remote Similarity NPD7739 Clinical (unspecified phase)
0.58 Remote Similarity NPD4247 Clinical (unspecified phase)
0.5781 Remote Similarity NPD869 Approved
0.5772 Remote Similarity NPD7899 Clinical (unspecified phase)
0.576 Remote Similarity NPD6371 Approved
0.5758 Remote Similarity NPD8080 Discontinued
0.5741 Remote Similarity NPD4821 Approved
0.5741 Remote Similarity NPD4822 Approved
0.5741 Remote Similarity NPD4820 Approved
0.5741 Remote Similarity NPD4819 Approved
0.5728 Remote Similarity NPD6944 Clinical (unspecified phase)
0.5727 Remote Similarity NPD5362 Discontinued
0.5725 Remote Similarity NPD2218 Phase 2
0.5725 Remote Similarity NPD2217 Approved
0.5714 Remote Similarity NPD8029 Clinical (unspecified phase)
0.5714 Remote Similarity NPD7601 Clinical (unspecified phase)
0.5702 Remote Similarity NPD7139 Approved
0.5702 Remote Similarity NPD7140 Approved
0.5702 Remote Similarity NPD7141 Clinical (unspecified phase)
0.5691 Remote Similarity NPD6640 Phase 3
0.569 Remote Similarity NPD1447 Phase 3
0.569 Remote Similarity NPD1446 Phase 3
0.5664 Remote Similarity NPD4759 Clinical (unspecified phase)
0.566 Remote Similarity NPD2689 Clinical (unspecified phase)
0.5645 Remote Similarity NPD8307 Discontinued
0.5645 Remote Similarity NPD8140 Approved
0.5639 Remote Similarity NPD6436 Phase 3
0.5636 Remote Similarity NPD4269 Approved
0.5636 Remote Similarity NPD6435 Approved
0.5636 Remote Similarity NPD882 Phase 2
0.5636 Remote Similarity NPD883 Phase 2
0.5636 Remote Similarity NPD4270 Approved
0.5614 Remote Similarity NPD4264 Clinical (unspecified phase)
0.5608 Remote Similarity NPD7274 Clinical (unspecified phase)
0.56 Remote Similarity NPD6686 Approved

Structure

External Identifiers

PubChem CID   10077016
ChEMBL   CHEMBL256279
ZINC  

Physicochemical Properties

Molecular Weight:  584.40
ALogP:  -5.0326
MLogP:  3.77
XLogP:  6.411
# Rotatable Bonds:  31
Polar Surface Area:  161.4
# H-Bond Aceptor:  10
# H-Bond Donor:  5
# Rings:  1
# Heavy Atoms:  41

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Biological Activities  
Similar NPs/Drugs