Natural Product: NPC199428

Natural Product ID:  NPC199428
Common Name:   Odoroside H
IUPAC Name:   3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Synonyms:   Odoroside H
Molecular Formula:   C30H46O8
Standard InCHIKey:  VPUNMTHWNSJUOG-HYDVPRFCSA-N
Standard InCHI:  InChI=1S/C30H46O8/c1-16-24(32)26(35-4)25(33)27(37-16)38-19-7-10-28(2)18(14-19)5-6-22-21(28)8-11-29(3)20(9-12-30(22,29)34)17-13-23(31)36-15-17/h13,16,18-22,24-27,32-34H,5-12,14-15H2,1-4H3/t16-,18-,19+,20-,21+,22-,24+,25-,26+,27+,28+,29-,30+/m1/s1
Canonical SMILES:  CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@@H]([C@@H]1O)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
NPO5197 Streptomyces eurythermus Species Streptomycetaceae Bacteria UNPD*
NPO6974 Solanum racemigerum Species Solanaceae Eukaryota UNPD*
NPO6377 Cocculus diversifolius Species Menispermaceae Eukaryota UNPD*
NPO14048 Cryptotaenia japonica Species Apiaceae Eukaryota UNPD*
NPO5591 Fucus spiralis Species Fucaceae Eukaryota UNPD*
NPO6776 Trifolium apertum Species Fabaceae Eukaryota UNPD*
NPO2518 Crinum kirkii Species Amaryllidaceae Eukaryota UNPD*
NPO715 Teucrium pestalozzae Species Lamiaceae Eukaryota UNPD*
NPO3146 Ammodendron conollyi Species Fabaceae Eukaryota UNPD*
NPO4253 Viguiera annua Species Asteraceae Eukaryota UNPD*
NPO24652 Toxicodendron succedaneum Species Anacardiaceae Eukaryota UNPD*
NPO6520 Myrica multiflora Species Myricaceae Eukaryota UNPD*
NPO10021 Nerium oleander Species Apocynaceae Eukaryota UNPD*
NPO5980 Eria subsessilis Species Orchidaceae Eukaryota UNPD*
NPO8585 Verpa digitaliformis Species Morchellaceae Eukaryota UNPD*
NPO1071 Parerythropodium fulvum NA NA NA UNPD*
NPO3664 Mesembryanthemum anatomicum Species Aizoaceae Eukaryota UNPD*
NPO14870 Cytisus austriacus Species Fabaceae Eukaryota UNPD*
NPO8472 Knightia deplanchei Species Proteaceae Eukaryota UNPD*
NPO26266 Isodon japonicus Species Lamiaceae Eukaryota UNPD*
NPO1308 Veronica pectinata Species Plantaginaceae Eukaryota UNPD*
NPO3936 Malva sylvestris Species Malvaceae Eukaryota UNPD*
NPO351 Cirsium dipsacolepis Species Asteraceae Eukaryota UNPD*
NPO4082 Ophiarthrum elegans Species Ophiocomidae Eukaryota UNPD*
NPO7097 Rhynchosporium orthosporum Species NA Eukaryota UNPD*
NPO8840 Ptilidium ciliare Species Ptilidiaceae Eukaryota UNPD*
NPO2342 Cytisus scoparius Species Fabaceae Eukaryota UNPD*
NPO15583 Tripodanthus acutifolius Species Loranthaceae Eukaryota UNPD*
NPO12987 Rhododendron farrerae Species Ericaceae Eukaryota UNPD*
NPO20132 Scutellaria seleriana Species Lamiaceae Eukaryota UNPD*
NPO13325 Plantago lanceolata Species Plantaginaceae Eukaryota UNPD*
NPO16314.1 Clematis terniflora var. mandshurica Varieties Ranunculaceae Eukaryota UNPD*
NPO1607 Croton rhamnifolius Species Euphorbiaceae Eukaryota UNPD*
NPO2747 Hypericum triquetrifolium Species Hypericaceae Eukaryota UNPD*
NPO2361 Aconitum brevicalcaratum Species Ranunculaceae Eukaryota UNPD*
NPO18054 Curvularia coicis Species Pleosporaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT367 Cell Line MDA-N Homo sapiens GI50 7.674 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 4.667 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 3.041 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 4.624 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 4.539 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 3.776 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 12.65 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 3.767 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 4.677 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 5.093 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 4.406 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 8.185 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 78.7 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 5.309 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 2.5 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 3.606 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 5.483 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 6.607 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 8.356 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 32.14 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 21.53 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 41.3 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 3.041 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 3.357 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 2.5 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 2.5 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 11.19 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 13.74 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 6.516 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 11.07 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 5.834 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 6.887 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 5.14 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 16.9 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 14.93 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 2.884 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 6.012 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 4.819 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 7.656 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 4.742 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 4.217 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 4.256 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 7.727 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 9.638 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 33.34 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 2.999 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 6.887 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 4.797 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 9.078 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 4.977 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 5.164 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 4.529 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 4.539 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 10.86 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 4.217 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 5.728 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 48.75 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 39.36 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 36.64 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 3.936 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 NPC199428 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 NPC310341
1.0 High Similarity NPC99620
1.0 High Similarity NPC5311
1.0 High Similarity NPC193382
0.9907 High Similarity NPC196429
0.9907 High Similarity NPC158344
0.9907 High Similarity NPC474418
0.9907 High Similarity NPC471355
0.9907 High Similarity NPC99728
0.9907 High Similarity NPC471353
0.9907 High Similarity NPC50305
0.9907 High Similarity NPC87250
0.9907 High Similarity NPC142066
0.9907 High Similarity NPC93883
0.9907 High Similarity NPC152615
0.9907 High Similarity NPC27507
0.9907 High Similarity NPC34390
0.9907 High Similarity NPC77319
0.9907 High Similarity NPC84987
0.9907 High Similarity NPC309034
0.9907 High Similarity NPC244402
0.9907 High Similarity NPC157376
0.9907 High Similarity NPC243196
0.9907 High Similarity NPC473852
0.9907 High Similarity NPC471354
0.9907 High Similarity NPC471351
0.9906 High Similarity NPC69576
0.9906 High Similarity NPC84949
0.9906 High Similarity NPC31354
0.9906 High Similarity NPC471633
0.9815 High Similarity NPC83287
0.9725 High Similarity NPC292467
0.9725 High Similarity NPC5883
0.9725 High Similarity NPC30483
0.9725 High Similarity NPC304260
0.9725 High Similarity NPC44899
0.9725 High Similarity NPC470897
0.9725 High Similarity NPC236973
0.9725 High Similarity NPC329905
0.9725 High Similarity NPC55532
0.9725 High Similarity NPC32177
0.9725 High Similarity NPC469756
0.9725 High Similarity NPC29639
0.9722 High Similarity NPC290693
0.9722 High Similarity NPC203862
0.9636 High Similarity NPC475136
0.9636 High Similarity NPC72260
0.9636 High Similarity NPC474466
0.9636 High Similarity NPC475629
0.9636 High Similarity NPC475556
0.955 High Similarity NPC475219
0.955 High Similarity NPC120390
0.955 High Similarity NPC173555
0.955 High Similarity NPC475590
0.955 High Similarity NPC314535
0.955 High Similarity NPC475419
0.955 High Similarity NPC474908
0.955 High Similarity NPC40749
0.955 High Similarity NPC231518
0.9464 High Similarity NPC115349
0.9464 High Similarity NPC264336
0.9464 High Similarity NPC74259
0.9464 High Similarity NPC474423
0.9464 High Similarity NPC193893
0.9455 High Similarity NPC218093
0.9381 High Similarity NPC27363
0.9381 High Similarity NPC117445
0.9381 High Similarity NPC208193
0.9381 High Similarity NPC308262
0.9369 High Similarity NPC291820
0.9369 High Similarity NPC81222
0.9286 High Similarity NPC107607
0.9252 High Similarity NPC475030
0.9217 High Similarity NPC469750
0.9217 High Similarity NPC250556
0.9196 High Similarity NPC268326
0.9196 High Similarity NPC153085
0.9138 High Similarity NPC329784
0.9138 High Similarity NPC471356
0.9138 High Similarity NPC117702
0.9138 High Similarity NPC179412
0.9138 High Similarity NPC146456
0.9138 High Similarity NPC471357
0.9138 High Similarity NPC469757
0.9138 High Similarity NPC240070
0.9115 High Similarity NPC470312
0.8983 High Similarity NPC471361
0.8983 High Similarity NPC219085
0.8983 High Similarity NPC469751
0.8983 High Similarity NPC471360
0.8983 High Similarity NPC180079
0.8983 High Similarity NPC89514
0.8983 High Similarity NPC469752
0.8983 High Similarity NPC284406
0.8983 High Similarity NPC232785
0.8983 High Similarity NPC10823
0.8983 High Similarity NPC329986
0.8983 High Similarity NPC86159
0.8983 High Similarity NPC70542
0.8983 High Similarity NPC276838
0.8983 High Similarity NPC469753
0.8983 High Similarity NPC471358
0.8983 High Similarity NPC125077
0.8983 High Similarity NPC471359
0.8983 High Similarity NPC9499
0.8983 High Similarity NPC188234
0.8983 High Similarity NPC251866
0.8983 High Similarity NPC471352
0.8983 High Similarity NPC469755
0.8983 High Similarity NPC6108
0.8983 High Similarity NPC469754
0.8983 High Similarity NPC140092
0.8983 High Similarity NPC197707
0.8983 High Similarity NPC17896
0.8972 High Similarity NPC473199
0.8962 High Similarity NPC472821
0.8947 High Similarity NPC135369
0.8908 High Similarity NPC253456
0.8908 High Similarity NPC16569
0.8908 High Similarity NPC159338
0.8898 High Similarity NPC311534
0.8889 High Similarity NPC472820
0.8833 High Similarity NPC93416
0.8833 High Similarity NPC42670
0.8833 High Similarity NPC19124
0.8824 High Similarity NPC91
0.8807 High Similarity NPC472988
0.8807 High Similarity NPC38217
0.8796 High Similarity NPC220217
0.8796 High Similarity NPC472818
0.8796 High Similarity NPC119855
0.8796 High Similarity NPC186668
0.8785 High Similarity NPC10232
0.8785 High Similarity NPC281378
0.8785 High Similarity NPC189588
0.8785 High Similarity NPC187302
0.8785 High Similarity NPC160583
0.8785 High Similarity NPC97487
0.8785 High Similarity NPC196471
0.8774 High Similarity NPC25177
0.8774 High Similarity NPC268829
0.8774 High Similarity NPC222875
0.8774 High Similarity NPC295110
0.8774 High Similarity NPC247701
0.8761 High Similarity NPC207637
0.876 High Similarity NPC225385
0.876 High Similarity NPC298783
0.876 High Similarity NPC477709
0.876 High Similarity NPC157817
0.876 High Similarity NPC116075
0.876 High Similarity NPC476221
0.876 High Similarity NPC247190
0.876 High Similarity NPC146857
0.876 High Similarity NPC469749
0.876 High Similarity NPC32793
0.876 High Similarity NPC104585
0.875 High Similarity NPC144068
0.8739 High Similarity NPC114188
0.8727 High Similarity NPC154085
0.8727 High Similarity NPC43976
0.8727 High Similarity NPC51925
0.8727 High Similarity NPC473570
0.8727 High Similarity NPC472901
0.8727 High Similarity NPC296761
0.8727 High Similarity NPC206618
0.8727 High Similarity NPC125361
0.8716 High Similarity NPC234160
0.8704 High Similarity NPC472819
0.8692 High Similarity NPC121423
0.8689 High Similarity NPC329636
0.8684 High Similarity NPC476690
0.8684 High Similarity NPC100048
0.8684 High Similarity NPC20979
0.8673 High Similarity NPC477580
0.8661 High Similarity NPC216595
0.8661 High Similarity NPC475354
0.8661 High Similarity NPC473567
0.8649 High Similarity NPC191439
0.8649 High Similarity NPC170974
0.8649 High Similarity NPC103627
0.8649 High Similarity NPC177047
0.8636 High Similarity NPC38948
0.8632 High Similarity NPC471082
0.8624 High Similarity NPC51719
0.8624 High Similarity NPC472898
0.8624 High Similarity NPC472899
0.8624 High Similarity NPC239961
0.8624 High Similarity NPC85670
0.8624 High Similarity NPC472900
0.8621 High Similarity NPC257610
0.8618 High Similarity NPC194716
0.8611 High Similarity NPC213190
0.8609 High Similarity NPC10366
0.8609 High Similarity NPC472080
0.8609 High Similarity NPC475403
0.8609 High Similarity NPC160888
0.8607 High Similarity NPC142756
0.8598 High Similarity NPC4831
0.8598 High Similarity NPC88000
0.8598 High Similarity NPC477717

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC199428 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
0.9815 High Similarity NPD7328 Approved
0.9815 High Similarity NPD7327 Approved
0.9725 High Similarity NPD7516 Approved
0.9636 High Similarity NPD8294 Approved
0.9636 High Similarity NPD8377 Approved
0.955 High Similarity NPD8335 Approved
0.955 High Similarity NPD8296 Approved
0.955 High Similarity NPD8380 Approved
0.955 High Similarity NPD8378 Approved
0.955 High Similarity NPD8379 Approved
0.955 High Similarity NPD8033 Approved
0.9217 High Similarity NPD7507 Approved
0.8983 High Similarity NPD7319 Approved
0.887 High Similarity NPD7503 Approved
0.8304 Intermediate Similarity NPD6686 Approved
0.8103 Intermediate Similarity NPD8133 Approved
0.8073 Intermediate Similarity NPD7638 Approved
0.8053 Intermediate Similarity NPD6412 Phase 2
0.8 Intermediate Similarity NPD7640 Approved
0.8 Intermediate Similarity NPD7639 Approved
0.784 Intermediate Similarity NPD7736 Approved
0.7778 Intermediate Similarity NPD7625 Phase 1
0.7619 Intermediate Similarity NPD8293 Discontinued
0.7581 Intermediate Similarity NPD6370 Approved
0.746 Intermediate Similarity NPD7492 Approved
0.7419 Intermediate Similarity NPD6059 Approved
0.7419 Intermediate Similarity NPD6054 Approved
0.7417 Intermediate Similarity NPD6882 Approved
0.7402 Intermediate Similarity NPD6616 Approved
0.7391 Intermediate Similarity NPD7632 Discontinued
0.7381 Intermediate Similarity NPD8328 Phase 3
0.7344 Intermediate Similarity NPD7078 Approved
0.7317 Intermediate Similarity NPD6009 Approved
0.7317 Intermediate Similarity NPD7115 Discovery
0.7311 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7311 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7297 Intermediate Similarity NPD8171 Discontinued
0.728 Intermediate Similarity NPD6319 Approved
0.7273 Intermediate Similarity NPD8297 Approved
0.7227 Intermediate Similarity NPD7320 Approved
0.7222 Intermediate Similarity NPD6016 Approved
0.7222 Intermediate Similarity NPD6015 Approved
0.7213 Intermediate Similarity NPD4632 Approved
0.7203 Intermediate Similarity NPD7128 Approved
0.7203 Intermediate Similarity NPD5739 Approved
0.7203 Intermediate Similarity NPD6675 Approved
0.7203 Intermediate Similarity NPD6402 Approved
0.7167 Intermediate Similarity NPD6373 Approved
0.7167 Intermediate Similarity NPD6372 Approved
0.7165 Intermediate Similarity NPD5988 Approved
0.713 Intermediate Similarity NPD4225 Approved
0.7109 Intermediate Similarity NPD6067 Discontinued
0.7107 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD6899 Approved
0.7083 Intermediate Similarity NPD6881 Approved
0.7049 Intermediate Similarity NPD6649 Approved
0.7049 Intermediate Similarity NPD6650 Approved
0.704 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD6051 Approved
0.7009 Intermediate Similarity NPD5344 Discontinued
0.7 Intermediate Similarity NPD5701 Approved
0.7 Intermediate Similarity NPD5697 Approved
0.6992 Remote Similarity NPD6053 Discontinued
0.6981 Remote Similarity NPD7525 Registered
0.6975 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6967 Remote Similarity NPD7102 Approved
0.6967 Remote Similarity NPD6883 Approved
0.6967 Remote Similarity NPD7290 Approved
0.6953 Remote Similarity NPD8516 Approved
0.6953 Remote Similarity NPD8515 Approved
0.6953 Remote Similarity NPD8513 Phase 3
0.6953 Remote Similarity NPD8517 Approved
0.6917 Remote Similarity NPD6008 Approved
0.6911 Remote Similarity NPD8130 Phase 1
0.6911 Remote Similarity NPD6617 Approved
0.6911 Remote Similarity NPD6869 Approved
0.6911 Remote Similarity NPD6847 Approved
0.6897 Remote Similarity NPD6083 Phase 2
0.6897 Remote Similarity NPD6084 Phase 2
0.6894 Remote Similarity NPD6033 Approved
0.6885 Remote Similarity NPD6012 Approved
0.6885 Remote Similarity NPD6014 Approved
0.6885 Remote Similarity NPD6013 Approved
0.686 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6846 Remote Similarity NPD7604 Phase 2
0.6822 Remote Similarity NPD6928 Phase 2
0.6822 Remote Similarity NPD5983 Phase 2
0.6803 Remote Similarity NPD6011 Approved
0.6774 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6752 Remote Similarity NPD4755 Approved
0.6742 Remote Similarity NPD6336 Discontinued
0.6727 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6696 Remote Similarity NPD7524 Approved
0.6696 Remote Similarity NPD4202 Approved
0.6695 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6694 Remote Similarity NPD4634 Approved
0.6691 Remote Similarity NPD8449 Approved
0.6667 Remote Similarity NPD46 Approved
0.6667 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5211 Phase 2
0.6667 Remote Similarity NPD6698 Approved
0.6642 Remote Similarity NPD8450 Suspended
0.664 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6639 Remote Similarity NPD4696 Approved
0.6639 Remote Similarity NPD5285 Approved
0.6639 Remote Similarity NPD6648 Approved
0.6639 Remote Similarity NPD5286 Approved
0.6639 Remote Similarity NPD4700 Approved
0.6638 Remote Similarity NPD7748 Approved
0.6637 Remote Similarity NPD7513 Clinical (unspecified phase)
0.661 Remote Similarity NPD7902 Approved
0.6609 Remote Similarity NPD8035 Phase 2
0.6609 Remote Similarity NPD8034 Phase 2
0.6609 Remote Similarity NPD7515 Phase 2
0.6585 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6581 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6581 Remote Similarity NPD5695 Phase 3
0.6577 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6562 Remote Similarity NPD6274 Approved
0.656 Remote Similarity NPD6371 Approved
0.6557 Remote Similarity NPD5141 Approved
0.6555 Remote Similarity NPD5696 Approved
0.6552 Remote Similarity NPD6399 Phase 3
0.6549 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6538 Remote Similarity NPD7100 Approved
0.6538 Remote Similarity NPD7101 Approved
0.6529 Remote Similarity NPD5225 Approved
0.6529 Remote Similarity NPD4633 Approved
0.6529 Remote Similarity NPD5224 Approved
0.6529 Remote Similarity NPD5226 Approved
0.6522 Remote Similarity NPD7838 Discovery
0.6518 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6504 Remote Similarity NPD4767 Approved
0.6504 Remote Similarity NPD4768 Approved
0.6491 Remote Similarity NPD6903 Approved
0.6486 Remote Similarity NPD6695 Phase 3
0.6475 Remote Similarity NPD5174 Approved
0.6475 Remote Similarity NPD5175 Approved
0.6466 Remote Similarity NPD7637 Suspended
0.6466 Remote Similarity NPD5693 Phase 1
0.6462 Remote Similarity NPD6335 Approved
0.646 Remote Similarity NPD6684 Approved
0.646 Remote Similarity NPD7521 Approved
0.646 Remote Similarity NPD5330 Approved
0.646 Remote Similarity NPD7334 Approved
0.646 Remote Similarity NPD7146 Approved
0.646 Remote Similarity NPD6409 Approved
0.6446 Remote Similarity NPD5223 Approved
0.6446 Remote Similarity NPD4159 Approved
0.6439 Remote Similarity NPD6909 Approved
0.6439 Remote Similarity NPD6908 Approved
0.6438 Remote Similarity NPD7799 Discontinued
0.6435 Remote Similarity NPD4753 Phase 2
0.6435 Remote Similarity NPD5328 Approved
0.6423 Remote Similarity NPD5956 Approved
0.6422 Remote Similarity NPD7645 Phase 2
0.64 Remote Similarity NPD4729 Approved
0.64 Remote Similarity NPD4730 Approved
0.6385 Remote Similarity NPD6317 Approved
0.6372 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6356 Remote Similarity NPD7900 Approved
0.6356 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6341 Remote Similarity NPD4754 Approved
0.6336 Remote Similarity NPD6313 Approved
0.6336 Remote Similarity NPD6314 Approved
0.6325 Remote Similarity NPD6079 Approved
0.6324 Remote Similarity NPD8074 Phase 3
0.6316 Remote Similarity NPD3618 Phase 1
0.6316 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6299 Remote Similarity NPD5250 Approved
0.6299 Remote Similarity NPD5251 Approved
0.6299 Remote Similarity NPD5248 Approved
0.6299 Remote Similarity NPD5249 Phase 3
0.6299 Remote Similarity NPD5247 Approved
0.6296 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6293 Remote Similarity NPD6080 Approved
0.6293 Remote Similarity NPD6673 Approved
0.6293 Remote Similarity NPD6904 Approved
0.6283 Remote Similarity NPD3665 Phase 1
0.6283 Remote Similarity NPD3133 Approved
0.6283 Remote Similarity NPD3666 Approved
0.6273 Remote Similarity NPD4195 Approved
0.627 Remote Similarity NPD5128 Approved
0.6261 Remote Similarity NPD7750 Discontinued
0.625 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6218 Remote Similarity NPD6001 Approved
0.6216 Remote Similarity NPD6931 Approved
0.6216 Remote Similarity NPD6930 Phase 2
0.6207 Remote Similarity NPD6672 Approved
0.6207 Remote Similarity NPD5737 Approved
0.6204 Remote Similarity NPD7339 Approved
0.6204 Remote Similarity NPD6942 Approved
0.6194 Remote Similarity NPD6921 Approved
0.6186 Remote Similarity NPD5284 Approved
0.6186 Remote Similarity NPD5281 Approved
0.6183 Remote Similarity NPD6940 Discontinued
0.6167 Remote Similarity NPD5210 Approved
0.6167 Remote Similarity NPD4629 Approved
0.6159 Remote Similarity NPD8337 Approved
0.6159 Remote Similarity NPD8336 Approved

Structure

External Identifiers

PubChem CID   205840
ChEMBL   CHEMBL504196
ZINC  

Physicochemical Properties

Molecular Weight:  534.32
ALogP:  -0.8709
MLogP:  3.88
XLogP:  2.941
# Rotatable Bonds:  11
Polar Surface Area:  114.68
# H-Bond Aceptor:  8
# H-Bond Donor:  3
# Rings:  6
# Heavy Atoms:  38

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Biological Activities  
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