Natural Product: NPC250594

Natural Product ID:  NPC250594
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C36H50O16
Standard InCHIKey:  QLMXVPKQTUZUIB-WXRBLWNSSA-N
Standard InCHI:  InChI=1S/C36H50O16/c1-15(2)33(44)50-26-16(3)25(45-18(5)37)24-30(47-20(7)39)35(13,51-22(9)41)14-36(24,52-23(10)42)29(43)17(4)27-31(49-27)34(11,12)32(48-21(8)40)28(26)46-19(6)38/h15,17,24-28,30-32H,3,14H2,1-2,4-13H3/t17-,24+,25+,26+,27+,28-,30-,31-,32-,35-,36-/m1/s1
Canonical SMILES:  CC(=O)O[C@H]1C(=C)[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C)[C@@H](OC(=O)C)C(C)(C)[C@H]2[C@H]([C@H](C(=O)[C@@]3([C@@H]1[C@@H](OC(=O)C)[C@](C3)(C)OC(=O)C)OC(=O)C)C)O2
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
NPO20783 Fissistigma bracteolatum Species Annonaceae Eukaryota UNPD*
NPO21966 Funiculina quadrangularis Species Funiculinidae Eukaryota UNPD*
NPO22613 Helichrysum sutherlandi Species Asteraceae Eukaryota UNPD*
NPO9653 Corynebacterium pseudotuberculosis Species Corynebacteriaceae Bacteria UNPD*
NPO21842 Musanga cecropioides Species Urticaceae Eukaryota UNPD*
NPO20895 Lotus suaveolens Species Fabaceae Eukaryota UNPD*
NPO17916 Monoon viride Species Annonaceae Eukaryota UNPD*
NPO23112 Rubia tinctoria Species Rubiaceae Eukaryota UNPD*
NPO22664 Uapaca paludosa Species Phyllanthaceae Eukaryota UNPD*
NPO17973 Sinapis arvensis Species Brassicaceae Eukaryota UNPD*
NPO18416 Streptomyces fulvoviolaceus Species Streptomycetaceae Bacteria UNPD*
NPO20156 Bolbitis subcordata Species Dryopteridaceae Eukaryota UNPD*
NPO22849 Glaucidium palmatum Species Ranunculaceae Eukaryota UNPD*
NPO22534 Lonicera tatarica Species Caprifoliaceae Eukaryota UNPD*
NPO20289 Dracocephalum tanguticum Species Lamiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT368 Cell Line SN12C Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT367 Cell Line MDA-N Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 61944.11 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 690.24 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 100000 nM PubChem BioAssay data set

  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 NPC250594 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
0.9894 High Similarity NPC471767
0.899 High Similarity NPC105725
0.899 High Similarity NPC471757
0.899 High Similarity NPC78127
0.899 High Similarity NPC49393
0.8942 High Similarity NPC477093
0.8942 High Similarity NPC473522
0.8942 High Similarity NPC475277
0.8846 High Similarity NPC475495
0.8687 High Similarity NPC470188
0.8611 High Similarity NPC475305
0.8532 High Similarity NPC475401
0.8462 Intermediate Similarity NPC470192
0.8455 Intermediate Similarity NPC477092
0.82 Intermediate Similarity NPC470191
0.8073 Intermediate Similarity NPC471933
0.79 Intermediate Similarity NPC286341
0.79 Intermediate Similarity NPC191339
0.7885 Intermediate Similarity NPC186861
0.787 Intermediate Similarity NPC117604
0.785 Intermediate Similarity NPC44004
0.785 Intermediate Similarity NPC474101
0.7767 Intermediate Similarity NPC477354
0.7755 Intermediate Similarity NPC469626
0.7755 Intermediate Similarity NPC475491
0.7714 Intermediate Similarity NPC471381
0.77 Intermediate Similarity NPC472872
0.77 Intermediate Similarity NPC283409
0.7685 Intermediate Similarity NPC291643
0.767 Intermediate Similarity NPC475900
0.767 Intermediate Similarity NPC163228
0.7664 Intermediate Similarity NPC19239
0.7664 Intermediate Similarity NPC474166
0.7658 Intermediate Similarity NPC287311
0.7647 Intermediate Similarity NPC470187
0.7647 Intermediate Similarity NPC477361
0.7647 Intermediate Similarity NPC202824
0.7636 Intermediate Similarity NPC471934
0.7624 Intermediate Similarity NPC65359
0.7624 Intermediate Similarity NPC246173
0.76 Intermediate Similarity NPC471149
0.7596 Intermediate Similarity NPC476009
0.7596 Intermediate Similarity NPC39859
0.7596 Intermediate Similarity NPC91771
0.7596 Intermediate Similarity NPC142529
0.7596 Intermediate Similarity NPC470883
0.7596 Intermediate Similarity NPC76862
0.7596 Intermediate Similarity NPC158416
0.7593 Intermediate Similarity NPC169843
0.7576 Intermediate Similarity NPC469676
0.7549 Intermediate Similarity NPC221282
0.7549 Intermediate Similarity NPC20713
0.7545 Intermediate Similarity NPC473939
0.7545 Intermediate Similarity NPC327286
0.7545 Intermediate Similarity NPC169888
0.7545 Intermediate Similarity NPC55972
0.7545 Intermediate Similarity NPC473595
0.7524 Intermediate Similarity NPC471150
0.7524 Intermediate Similarity NPC311904
0.7523 Intermediate Similarity NPC103088
0.7523 Intermediate Similarity NPC54737
0.7523 Intermediate Similarity NPC470979
0.7523 Intermediate Similarity NPC475802
0.7523 Intermediate Similarity NPC470975
0.7523 Intermediate Similarity NPC16313
0.7523 Intermediate Similarity NPC9303
0.75 Intermediate Similarity NPC24728
0.75 Intermediate Similarity NPC329704
0.75 Intermediate Similarity NPC270270
0.75 Intermediate Similarity NPC476053
0.7477 Intermediate Similarity NPC201718
0.7477 Intermediate Similarity NPC59489
0.7477 Intermediate Similarity NPC139838
0.7477 Intermediate Similarity NPC477356
0.7477 Intermediate Similarity NPC477511
0.7477 Intermediate Similarity NPC15218
0.7477 Intermediate Similarity NPC476228
0.7477 Intermediate Similarity NPC264477
0.7476 Intermediate Similarity NPC473273
0.7476 Intermediate Similarity NPC308656
0.7476 Intermediate Similarity NPC153590
0.7476 Intermediate Similarity NPC473263
0.7476 Intermediate Similarity NPC473234
0.7476 Intermediate Similarity NPC60386
0.7476 Intermediate Similarity NPC472874
0.7455 Intermediate Similarity NPC475510
0.7455 Intermediate Similarity NPC194620
0.7455 Intermediate Similarity NPC474421
0.7455 Intermediate Similarity NPC326994
0.7455 Intermediate Similarity NPC72813
0.7455 Intermediate Similarity NPC324327
0.7455 Intermediate Similarity NPC475587
0.7453 Intermediate Similarity NPC477355
0.7453 Intermediate Similarity NPC45125
0.7453 Intermediate Similarity NPC109556
0.7451 Intermediate Similarity NPC475748
0.7429 Intermediate Similarity NPC17585
0.7429 Intermediate Similarity NPC31645
0.7414 Intermediate Similarity NPC475130
0.7414 Intermediate Similarity NPC474286
0.7411 Intermediate Similarity NPC193741
0.7411 Intermediate Similarity NPC50223
0.7411 Intermediate Similarity NPC477103
0.7407 Intermediate Similarity NPC472754
0.7407 Intermediate Similarity NPC118405
0.7404 Intermediate Similarity NPC190294
0.7404 Intermediate Similarity NPC473331
0.74 Intermediate Similarity NPC304558
0.74 Intermediate Similarity NPC238593
0.7387 Intermediate Similarity NPC233379
0.7387 Intermediate Similarity NPC474664
0.7387 Intermediate Similarity NPC14862
0.7387 Intermediate Similarity NPC308191
0.7379 Intermediate Similarity NPC469627
0.7379 Intermediate Similarity NPC155215
0.7379 Intermediate Similarity NPC66504
0.7358 Intermediate Similarity NPC87090
0.7358 Intermediate Similarity NPC323421
0.7358 Intermediate Similarity NPC474313
0.7358 Intermediate Similarity NPC328562
0.7358 Intermediate Similarity NPC471140
0.7345 Intermediate Similarity NPC470281
0.7339 Intermediate Similarity NPC329834
0.7339 Intermediate Similarity NPC472755
0.7333 Intermediate Similarity NPC472873
0.7327 Intermediate Similarity NPC5130
0.7321 Intermediate Similarity NPC475922
0.7321 Intermediate Similarity NPC477102
0.7315 Intermediate Similarity NPC27474
0.7315 Intermediate Similarity NPC472753
0.7315 Intermediate Similarity NPC304624
0.7315 Intermediate Similarity NPC171759
0.7315 Intermediate Similarity NPC474053
0.7315 Intermediate Similarity NPC476230
0.7308 Intermediate Similarity NPC200237
0.7308 Intermediate Similarity NPC258216
0.7308 Intermediate Similarity NPC475488
0.7308 Intermediate Similarity NPC475788
0.7297 Intermediate Similarity NPC251824
0.7297 Intermediate Similarity NPC26617
0.7297 Intermediate Similarity NPC474716
0.7297 Intermediate Similarity NPC473911
0.7297 Intermediate Similarity NPC86852
0.7297 Intermediate Similarity NPC469558
0.7282 Intermediate Similarity NPC329857
0.7282 Intermediate Similarity NPC469718
0.7281 Intermediate Similarity NPC475924
0.7281 Intermediate Similarity NPC475851
0.7273 Intermediate Similarity NPC477510
0.7273 Intermediate Similarity NPC257358
0.7273 Intermediate Similarity NPC310586
0.7273 Intermediate Similarity NPC474741
0.7273 Intermediate Similarity NPC128429
0.7273 Intermediate Similarity NPC471143
0.7273 Intermediate Similarity NPC472756
0.7273 Intermediate Similarity NPC474472
0.7264 Intermediate Similarity NPC113433
0.7264 Intermediate Similarity NPC476275
0.7257 Intermediate Similarity NPC281624
0.7257 Intermediate Similarity NPC161816
0.7257 Intermediate Similarity NPC473975
0.7257 Intermediate Similarity NPC115257
0.7257 Intermediate Similarity NPC474586
0.7257 Intermediate Similarity NPC41551
0.7257 Intermediate Similarity NPC473594
0.7257 Intermediate Similarity NPC473843
0.7255 Intermediate Similarity NPC315911
0.7241 Intermediate Similarity NPC476711
0.7241 Intermediate Similarity NPC476710
0.7236 Intermediate Similarity NPC13071
0.7232 Intermediate Similarity NPC470269
0.7228 Intermediate Similarity NPC261253
0.7228 Intermediate Similarity NPC137253
0.7228 Intermediate Similarity NPC474045
0.7222 Intermediate Similarity NPC476211
0.7222 Intermediate Similarity NPC476320
0.7222 Intermediate Similarity NPC477512
0.7217 Intermediate Similarity NPC101965
0.7217 Intermediate Similarity NPC101400
0.7212 Intermediate Similarity NPC35959
0.7212 Intermediate Similarity NPC293001
0.7212 Intermediate Similarity NPC133888
0.7212 Intermediate Similarity NPC29821
0.7212 Intermediate Similarity NPC171360
0.7212 Intermediate Similarity NPC63193
0.7212 Intermediate Similarity NPC57304
0.7207 Intermediate Similarity NPC28791
0.7207 Intermediate Similarity NPC179891
0.7207 Intermediate Similarity NPC314244
0.7207 Intermediate Similarity NPC295366
0.7196 Intermediate Similarity NPC170143
0.7196 Intermediate Similarity NPC213947
0.7196 Intermediate Similarity NPC86843
0.7196 Intermediate Similarity NPC108475
0.7193 Intermediate Similarity NPC94650
0.7193 Intermediate Similarity NPC194619
0.7184 Intermediate Similarity NPC151770
0.7184 Intermediate Similarity NPC474951
0.7184 Intermediate Similarity NPC475971
0.7182 Intermediate Similarity NPC260809

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC250594 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
0.7297 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD6371 Approved
0.686 Remote Similarity NPD6319 Approved
0.6857 Remote Similarity NPD1695 Approved
0.6796 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6754 Remote Similarity NPD6008 Approved
0.6696 Remote Similarity NPD1700 Approved
0.6695 Remote Similarity NPD8297 Approved
0.6667 Remote Similarity NPD4057 Clinical (unspecified phase)
0.6667 Remote Similarity NPD8293 Discontinued
0.6667 Remote Similarity NPD4056 Clinical (unspecified phase)
0.664 Remote Similarity NPD7492 Approved
0.6638 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6614 Remote Similarity NPD7736 Approved
0.6587 Remote Similarity NPD6616 Approved
0.6585 Remote Similarity NPD6059 Approved
0.6585 Remote Similarity NPD6054 Approved
0.6581 Remote Similarity NPD6372 Approved
0.6581 Remote Similarity NPD6373 Approved
0.6574 Remote Similarity NPD7983 Approved
0.6535 Remote Similarity NPD7078 Approved
0.6505 Remote Similarity NPD6435 Approved
0.65 Remote Similarity NPD8133 Approved
0.6481 Remote Similarity NPD46 Approved
0.6481 Remote Similarity NPD6698 Approved
0.6481 Remote Similarity NPD5785 Approved
0.648 Remote Similarity NPD6370 Approved
0.6471 Remote Similarity NPD6650 Approved
0.6471 Remote Similarity NPD6649 Approved
0.6466 Remote Similarity NPD5739 Approved
0.6466 Remote Similarity NPD7128 Approved
0.6466 Remote Similarity NPD6675 Approved
0.6466 Remote Similarity NPD6402 Approved
0.6422 Remote Similarity NPD5693 Phase 1
0.6417 Remote Similarity NPD6053 Discontinued
0.6415 Remote Similarity NPD5786 Approved
0.6408 Remote Similarity NPD5369 Approved
0.64 Remote Similarity NPD6016 Approved
0.64 Remote Similarity NPD6015 Approved
0.6396 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6356 Remote Similarity NPD7320 Approved
0.6356 Remote Similarity NPD6881 Approved
0.6356 Remote Similarity NPD6899 Approved
0.6349 Remote Similarity NPD5988 Approved
0.6341 Remote Similarity NPD7115 Discovery
0.6333 Remote Similarity NPD8130 Phase 1
0.6311 Remote Similarity NPD5368 Approved
0.6308 Remote Similarity NPD7319 Approved
0.6306 Remote Similarity NPD5282 Discontinued
0.6299 Remote Similarity NPD7604 Phase 2
0.6283 Remote Similarity NPD6084 Phase 2
0.6283 Remote Similarity NPD6083 Phase 2
0.6281 Remote Similarity NPD6882 Approved
0.6271 Remote Similarity NPD5697 Approved
0.6271 Remote Similarity NPD5701 Approved
0.6262 Remote Similarity NPD6098 Approved
0.625 Remote Similarity NPD7290 Approved
0.625 Remote Similarity NPD7102 Approved
0.625 Remote Similarity NPD6883 Approved
0.625 Remote Similarity NPD5695 Phase 3
0.6239 Remote Similarity NPD6904 Approved
0.6239 Remote Similarity NPD6673 Approved
0.6239 Remote Similarity NPD6080 Approved
0.623 Remote Similarity NPD4632 Approved
0.6228 Remote Similarity NPD5696 Approved
0.621 Remote Similarity NPD6009 Approved
0.6202 Remote Similarity NPD7507 Approved
0.6198 Remote Similarity NPD6847 Approved
0.6198 Remote Similarity NPD6869 Approved
0.6198 Remote Similarity NPD6617 Approved
0.6198 Remote Similarity NPD8413 Clinical (unspecified phase)
0.619 Remote Similarity NPD4270 Approved
0.619 Remote Similarity NPD4269 Approved
0.6182 Remote Similarity NPD7838 Discovery
0.6172 Remote Similarity NPD8328 Phase 3
0.6167 Remote Similarity NPD6012 Approved
0.6167 Remote Similarity NPD6014 Approved
0.6167 Remote Similarity NPD6013 Approved
0.6147 Remote Similarity NPD5737 Approved
0.6147 Remote Similarity NPD6672 Approved
0.6142 Remote Similarity NPD5983 Phase 2
0.6142 Remote Similarity NPD6921 Approved
0.6134 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6126 Remote Similarity NPD6050 Approved
0.6116 Remote Similarity NPD4634 Approved
0.6107 Remote Similarity NPD6033 Approved
0.6083 Remote Similarity NPD6011 Approved
0.608 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6077 Remote Similarity NPD6336 Discontinued
0.6071 Remote Similarity NPD6399 Phase 3
0.6066 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6055 Remote Similarity NPD4251 Approved
0.6055 Remote Similarity NPD4250 Approved
0.6036 Remote Similarity NPD5692 Phase 3
0.6019 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6019 Remote Similarity NPD5363 Approved
0.6016 Remote Similarity NPD8517 Approved
0.6016 Remote Similarity NPD8515 Approved
0.6016 Remote Similarity NPD8513 Phase 3
0.6016 Remote Similarity NPD8516 Approved
0.6 Remote Similarity NPD4821 Approved
0.6 Remote Similarity NPD4822 Approved
0.6 Remote Similarity NPD4252 Approved
0.6 Remote Similarity NPD4819 Approved
0.6 Remote Similarity NPD4820 Approved
0.6 Remote Similarity NPD5790 Clinical (unspecified phase)
0.5984 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5982 Remote Similarity NPD5694 Approved
0.5982 Remote Similarity NPD8034 Phase 2
0.5982 Remote Similarity NPD8035 Phase 2
0.5981 Remote Similarity NPD5362 Discontinued
0.597 Remote Similarity NPD7260 Phase 2
0.5965 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5963 Remote Similarity NPD6684 Approved
0.5963 Remote Similarity NPD4249 Approved
0.5963 Remote Similarity NPD7521 Approved
0.5963 Remote Similarity NPD7146 Approved
0.5963 Remote Similarity NPD7334 Approved
0.5963 Remote Similarity NPD6409 Approved
0.5963 Remote Similarity NPD5330 Approved
0.595 Remote Similarity NPD6686 Approved
0.5929 Remote Similarity NPD5779 Approved
0.5929 Remote Similarity NPD5778 Approved
0.5891 Remote Similarity NPD8033 Approved
0.5888 Remote Similarity NPD5209 Approved
0.5873 Remote Similarity NPD6274 Approved
0.5868 Remote Similarity NPD6412 Phase 2
0.5862 Remote Similarity NPD4755 Approved
0.5859 Remote Similarity NPD7100 Approved
0.5859 Remote Similarity NPD7101 Approved
0.5856 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5856 Remote Similarity NPD6903 Approved
0.5841 Remote Similarity NPD7637 Suspended
0.5841 Remote Similarity NPD6411 Approved
0.5833 Remote Similarity NPD7154 Phase 3
0.5812 Remote Similarity NPD7638 Approved
0.581 Remote Similarity NPD4802 Phase 2
0.581 Remote Similarity NPD4271 Approved
0.581 Remote Similarity NPD5784 Clinical (unspecified phase)
0.581 Remote Similarity NPD4268 Approved
0.581 Remote Similarity NPD4238 Approved
0.5809 Remote Similarity NPD6845 Suspended
0.5804 Remote Similarity NPD6051 Approved
0.5798 Remote Similarity NPD8301 Approved
0.5798 Remote Similarity NPD8300 Approved
0.5798 Remote Similarity NPD5211 Phase 2
0.5789 Remote Similarity NPD8074 Phase 3
0.5781 Remote Similarity NPD6335 Approved
0.5778 Remote Similarity NPD5956 Approved
0.5776 Remote Similarity NPD7839 Suspended
0.5772 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5769 Remote Similarity NPD6908 Approved
0.5769 Remote Similarity NPD8267 Approved
0.5769 Remote Similarity NPD6909 Approved
0.5769 Remote Similarity NPD8266 Approved
0.5769 Remote Similarity NPD8269 Approved
0.5769 Remote Similarity NPD8268 Approved
0.5769 Remote Similarity NPD8274 Clinical (unspecified phase)
0.5763 Remote Similarity NPD4700 Approved
0.5763 Remote Similarity NPD5286 Approved
0.5763 Remote Similarity NPD5285 Approved
0.5763 Remote Similarity NPD7640 Approved
0.5763 Remote Similarity NPD4696 Approved
0.5763 Remote Similarity NPD7639 Approved
0.5755 Remote Similarity NPD7966 Clinical (unspecified phase)
0.5741 Remote Similarity NPD4800 Clinical (unspecified phase)
0.5726 Remote Similarity NPD5959 Approved
0.5725 Remote Similarity NPD8080 Discontinued
0.5703 Remote Similarity NPD6317 Approved
0.5702 Remote Similarity NPD5141 Approved
0.5692 Remote Similarity NPD8377 Approved
0.5692 Remote Similarity NPD8294 Approved
0.569 Remote Similarity NPD5654 Approved
0.5682 Remote Similarity NPD7642 Approved
0.5678 Remote Similarity NPD4225 Approved
0.5678 Remote Similarity NPD8029 Clinical (unspecified phase)
0.5672 Remote Similarity NPD8448 Approved
0.5667 Remote Similarity NPD4633 Approved
0.5667 Remote Similarity NPD5224 Approved
0.5667 Remote Similarity NPD5225 Approved
0.5667 Remote Similarity NPD5226 Approved
0.5664 Remote Similarity NPD6101 Approved
0.5664 Remote Similarity NPD4753 Phase 2
0.5664 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5659 Remote Similarity NPD7328 Approved
0.5659 Remote Similarity NPD6314 Approved
0.5659 Remote Similarity NPD6313 Approved
0.5659 Remote Similarity NPD7327 Approved
0.5656 Remote Similarity NPD4768 Approved
0.5656 Remote Similarity NPD4767 Approved
0.5649 Remote Similarity NPD8379 Approved
0.5649 Remote Similarity NPD8335 Approved
0.5649 Remote Similarity NPD8444 Approved
0.5649 Remote Similarity NPD8378 Approved
0.5649 Remote Similarity NPD8380 Approved
0.5649 Remote Similarity NPD8296 Approved
0.563 Remote Similarity NPD8336 Approved
0.563 Remote Similarity NPD6648 Approved
0.563 Remote Similarity NPD8337 Approved
0.562 Remote Similarity NPD5175 Approved

Structure

External Identifiers

PubChem CID   6712418
ChEMBL   CHEMBL1978293
ZINC  

Physicochemical Properties

Molecular Weight:  738.31
ALogP:  0.7322
MLogP:  3.66
XLogP:  2.336
# Rotatable Bonds:  27
Polar Surface Area:  213.7
# H-Bond Aceptor:  16
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  52

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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