Natural Product: NPC120599

Natural Product ID:  NPC120599
Common Name:   (11Z)-7-Hydroxy-3',6,7,14-Tetramethylspiro[2,9-Dioxa-14-Azabicyclo[9.5.1]Heptadec-11-Ene-4,2'-Oxirane]-3,8,17-Trione
IUPAC Name:   (11Z)-7-hydroxy-3',6,7,14-tetramethylspiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione
Synonyms:  
Molecular Formula:   C19H27NO7
Standard InCHIKey:  CZQLULNMKQAIQL-ACAGNQJTSA-N
Standard InCHI:  InChI=1S/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-
Canonical SMILES:  CN1CCC2OC(=O)C3(OC3C)CC(C(C(=O)OCC(=CC1)C2=O)(C)O)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
NPO10980 Petasites japonicus Species Asteraceae Eukaryota TCMID*
NPO17609 Thevetia neriifolia Species Apocynaceae Eukaryota TCMID*
NPO8362 Petasites officinalis Species Asteraceae Eukaryota TCMID*

  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 100000 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 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
NPT112 Cell Line MOLT-4 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 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
NPT381 Cell Line OVCAR-8 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
NPT383 Cell Line SNB-19 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT386 Cell Line KM12 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
NPT391 Cell Line HCC 2998 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 100000 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT396 Cell Line T47D 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
NPT401 Cell Line 786-0 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 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 NPC120599 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 NPC156336
1.0 High Similarity NPC200412
0.9358 High Similarity NPC275100
0.9352 High Similarity NPC195435
0.9352 High Similarity NPC196073
0.9182 High Similarity NPC474497
0.8403 Intermediate Similarity NPC23963
0.8 Intermediate Similarity NPC201889
0.8 Intermediate Similarity NPC106791
0.7815 Intermediate Similarity NPC130124
0.7815 Intermediate Similarity NPC193471
0.7739 Intermediate Similarity NPC474741
0.7632 Intermediate Similarity NPC164598
0.7632 Intermediate Similarity NPC474339
0.7561 Intermediate Similarity NPC235625
0.7561 Intermediate Similarity NPC284656
0.752 Intermediate Similarity NPC156379
0.752 Intermediate Similarity NPC475383
0.75 Intermediate Similarity NPC475945
0.75 Intermediate Similarity NPC47857
0.75 Intermediate Similarity NPC475871
0.75 Intermediate Similarity NPC168758
0.75 Intermediate Similarity NPC181510
0.75 Intermediate Similarity NPC241050
0.7478 Intermediate Similarity NPC474742
0.7478 Intermediate Similarity NPC476270
0.7478 Intermediate Similarity NPC201718
0.7458 Intermediate Similarity NPC477513
0.7414 Intermediate Similarity NPC474747
0.7414 Intermediate Similarity NPC149371
0.7402 Intermediate Similarity NPC318445
0.7402 Intermediate Similarity NPC316133
0.7391 Intermediate Similarity NPC475949
0.7355 Intermediate Similarity NPC30911
0.7355 Intermediate Similarity NPC316984
0.735 Intermediate Similarity NPC472755
0.7328 Intermediate Similarity NPC47880
0.7328 Intermediate Similarity NPC472753
0.7304 Intermediate Similarity NPC471144
0.7281 Intermediate Similarity NPC17585
0.7273 Intermediate Similarity NPC316401
0.7265 Intermediate Similarity NPC472754
0.7265 Intermediate Similarity NPC471148
0.7258 Intermediate Similarity NPC30196
0.7241 Intermediate Similarity NPC288876
0.7232 Intermediate Similarity NPC20713
0.7203 Intermediate Similarity NPC475873
0.72 Intermediate Similarity NPC6531
0.72 Intermediate Similarity NPC471146
0.72 Intermediate Similarity NPC475642
0.7193 Intermediate Similarity NPC14961
0.7193 Intermediate Similarity NPC475659
0.7193 Intermediate Similarity NPC270013
0.719 Intermediate Similarity NPC38154
0.7179 Intermediate Similarity NPC133907
0.7179 Intermediate Similarity NPC477511
0.7179 Intermediate Similarity NPC46998
0.7179 Intermediate Similarity NPC128733
0.7179 Intermediate Similarity NPC185141
0.7179 Intermediate Similarity NPC264477
0.7179 Intermediate Similarity NPC110443
0.7168 Intermediate Similarity NPC212486
0.7155 Intermediate Similarity NPC161855
0.7154 Intermediate Similarity NPC261750
0.7154 Intermediate Similarity NPC1111
0.7143 Intermediate Similarity NPC475401
0.7143 Intermediate Similarity NPC64168
0.713 Intermediate Similarity NPC473291
0.713 Intermediate Similarity NPC473859
0.7117 Intermediate Similarity NPC475902
0.7105 Intermediate Similarity NPC81386
0.7105 Intermediate Similarity NPC474035
0.7097 Intermediate Similarity NPC469597
0.7094 Intermediate Similarity NPC469551
0.7094 Intermediate Similarity NPC477512
0.7087 Intermediate Similarity NPC477092
0.7073 Intermediate Similarity NPC317107
0.7069 Intermediate Similarity NPC476344
0.7063 Intermediate Similarity NPC475305
0.7059 Intermediate Similarity NPC6271
0.7059 Intermediate Similarity NPC80439
0.7059 Intermediate Similarity NPC173690
0.7059 Intermediate Similarity NPC279833
0.7043 Intermediate Similarity NPC475900
0.7043 Intermediate Similarity NPC150041
0.7034 Intermediate Similarity NPC15993
0.7025 Intermediate Similarity NPC474716
0.7018 Intermediate Similarity NPC476300
0.7018 Intermediate Similarity NPC475912
0.7016 Intermediate Similarity NPC60432
0.7016 Intermediate Similarity NPC317687
0.7009 Intermediate Similarity NPC473326
0.7 Intermediate Similarity NPC100487
0.7 Intermediate Similarity NPC203659
0.7 Intermediate Similarity NPC477510
0.7 Intermediate Similarity NPC471143
0.7 Intermediate Similarity NPC472756
0.6991 Remote Similarity NPC51004
0.6983 Remote Similarity NPC476009
0.6983 Remote Similarity NPC476275
0.6983 Remote Similarity NPC476315
0.6975 Remote Similarity NPC324017
0.6975 Remote Similarity NPC39996
0.6975 Remote Similarity NPC320019
0.6967 Remote Similarity NPC70235
0.6964 Remote Similarity NPC281516
0.6957 Remote Similarity NPC121825
0.6949 Remote Similarity NPC475053
0.6942 Remote Similarity NPC243998
0.6942 Remote Similarity NPC314244
0.6942 Remote Similarity NPC9303
0.6942 Remote Similarity NPC223450
0.6942 Remote Similarity NPC16313
0.6935 Remote Similarity NPC475608
0.6935 Remote Similarity NPC474411
0.6935 Remote Similarity NPC474431
0.6935 Remote Similarity NPC21713
0.6935 Remote Similarity NPC475495
0.693 Remote Similarity NPC30515
0.693 Remote Similarity NPC184463
0.6929 Remote Similarity NPC471145
0.6923 Remote Similarity NPC40812
0.6923 Remote Similarity NPC471140
0.6917 Remote Similarity NPC110989
0.6917 Remote Similarity NPC472750
0.6917 Remote Similarity NPC472747
0.6912 Remote Similarity NPC120420
0.6903 Remote Similarity NPC307411
0.6897 Remote Similarity NPC474947
0.6897 Remote Similarity NPC471142
0.6897 Remote Similarity NPC36954
0.6885 Remote Similarity NPC326994
0.6885 Remote Similarity NPC324327
0.6885 Remote Similarity NPC474421
0.6885 Remote Similarity NPC194620
0.6885 Remote Similarity NPC26617
0.6885 Remote Similarity NPC72813
0.6885 Remote Similarity NPC266514
0.688 Remote Similarity NPC477093
0.688 Remote Similarity NPC473522
0.688 Remote Similarity NPC475277
0.6875 Remote Similarity NPC471738
0.6875 Remote Similarity NPC231889
0.687 Remote Similarity NPC469692
0.687 Remote Similarity NPC81419
0.687 Remote Similarity NPC469645
0.687 Remote Similarity NPC280498
0.687 Remote Similarity NPC165383
0.687 Remote Similarity NPC179746
0.6864 Remote Similarity NPC83895
0.6864 Remote Similarity NPC474213
0.6864 Remote Similarity NPC187761
0.6864 Remote Similarity NPC208233
0.6861 Remote Similarity NPC99864
0.686 Remote Similarity NPC472748
0.6855 Remote Similarity NPC477103
0.6847 Remote Similarity NPC474547
0.6842 Remote Similarity NPC474761
0.6842 Remote Similarity NPC469718
0.6842 Remote Similarity NPC476004
0.6842 Remote Similarity NPC475748
0.6842 Remote Similarity NPC473619
0.6842 Remote Similarity NPC316228
0.6842 Remote Similarity NPC329857
0.6838 Remote Similarity NPC158416
0.6838 Remote Similarity NPC230800
0.6838 Remote Similarity NPC470883
0.6838 Remote Similarity NPC76862
0.6838 Remote Similarity NPC279621
0.6838 Remote Similarity NPC39859
0.6838 Remote Similarity NPC477921
0.6833 Remote Similarity NPC225353
0.6829 Remote Similarity NPC169888
0.6829 Remote Similarity NPC55972
0.6829 Remote Similarity NPC117604
0.6829 Remote Similarity NPC322903
0.6829 Remote Similarity NPC233379
0.6829 Remote Similarity NPC327286
0.6829 Remote Similarity NPC474664
0.6829 Remote Similarity NPC14862
0.6825 Remote Similarity NPC159333
0.6814 Remote Similarity NPC202672
0.6814 Remote Similarity NPC153805
0.681 Remote Similarity NPC469632
0.681 Remote Similarity NPC140543
0.681 Remote Similarity NPC190294
0.681 Remote Similarity NPC303942
0.681 Remote Similarity NPC473316
0.681 Remote Similarity NPC476267
0.681 Remote Similarity NPC57405
0.681 Remote Similarity NPC471147
0.681 Remote Similarity NPC473330
0.6803 Remote Similarity NPC475802
0.6803 Remote Similarity NPC472751
0.6803 Remote Similarity NPC472749
0.6797 Remote Similarity NPC476713
0.6797 Remote Similarity NPC476712
0.6786 Remote Similarity NPC122502
0.6783 Remote Similarity NPC476705
0.6783 Remote Similarity NPC12172

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC120599 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
0.7402 Intermediate Similarity NPD7642 Approved
0.7355 Intermediate Similarity NPD2204 Approved
0.7023 Intermediate Similarity NPD8273 Phase 1
0.6934 Remote Similarity NPD8387 Clinical (unspecified phase)
0.6923 Remote Similarity NPD8080 Discontinued
0.6885 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6861 Remote Similarity NPD8415 Approved
0.6846 Remote Similarity NPD8274 Clinical (unspecified phase)
0.6842 Remote Similarity NPD46 Approved
0.6842 Remote Similarity NPD6698 Approved
0.6767 Remote Similarity NPD8451 Approved
0.6765 Remote Similarity NPD7260 Phase 2
0.6744 Remote Similarity NPD7641 Discontinued
0.6742 Remote Similarity NPD7830 Approved
0.6742 Remote Similarity NPD7829 Approved
0.672 Remote Similarity NPD6371 Approved
0.6716 Remote Similarity NPD8448 Approved
0.6594 Remote Similarity NPD6845 Suspended
0.6591 Remote Similarity NPD6921 Approved
0.6569 Remote Similarity NPD8391 Approved
0.6569 Remote Similarity NPD8392 Approved
0.6569 Remote Similarity NPD8390 Approved
0.6567 Remote Similarity NPD8299 Approved
0.6567 Remote Similarity NPD8342 Approved
0.6567 Remote Similarity NPD8340 Approved
0.6567 Remote Similarity NPD8341 Approved
0.6552 Remote Similarity NPD7838 Discovery
0.6538 Remote Similarity NPD8137 Clinical (unspecified phase)
0.6496 Remote Similarity NPD7983 Approved
0.6458 Remote Similarity NPD8384 Approved
0.6404 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6343 Remote Similarity NPD8444 Approved
0.6333 Remote Similarity NPD1698 Clinical (unspecified phase)
0.621 Remote Similarity NPD5344 Discontinued
0.6148 Remote Similarity NPD6319 Approved
0.6133 Remote Similarity NPD2575 Approved
0.6116 Remote Similarity NPD5282 Discontinued
0.6103 Remote Similarity NPD6909 Approved
0.6103 Remote Similarity NPD6908 Approved
0.605 Remote Similarity NPD1695 Approved
0.6047 Remote Similarity NPD6686 Approved
0.6045 Remote Similarity NPD7500 Approved
0.6045 Remote Similarity NPD7115 Discovery
0.6033 Remote Similarity NPD5778 Approved
0.6033 Remote Similarity NPD5779 Approved
0.6032 Remote Similarity NPD8300 Approved
0.6032 Remote Similarity NPD8301 Approved
0.6029 Remote Similarity NPD7299 Clinical (unspecified phase)
0.6014 Remote Similarity NPD7604 Phase 2
0.6 Remote Similarity NPD6648 Approved
0.5985 Remote Similarity NPD7739 Clinical (unspecified phase)
0.5974 Remote Similarity NPD8389 Clinical (unspecified phase)
0.5957 Remote Similarity NPD8337 Approved
0.5957 Remote Similarity NPD8336 Approved
0.5954 Remote Similarity NPD6421 Discontinued
0.5942 Remote Similarity NPD7623 Phase 3
0.5942 Remote Similarity NPD7624 Clinical (unspecified phase)
0.5924 Remote Similarity NPD8414 Discontinued
0.5923 Remote Similarity NPD5345 Clinical (unspecified phase)
0.592 Remote Similarity NPD4225 Approved
0.5909 Remote Similarity NPD8413 Clinical (unspecified phase)
0.5906 Remote Similarity NPD8086 Approved
0.5906 Remote Similarity NPD8083 Approved
0.5906 Remote Similarity NPD8084 Approved
0.5906 Remote Similarity NPD8138 Approved
0.5906 Remote Similarity NPD8082 Approved
0.5906 Remote Similarity NPD8139 Approved
0.5906 Remote Similarity NPD8085 Approved
0.5887 Remote Similarity NPD8074 Phase 3
0.5887 Remote Similarity NPD7839 Suspended
0.5878 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5868 Remote Similarity NPD5785 Approved
0.5865 Remote Similarity NPD6053 Discontinued
0.5859 Remote Similarity NPD8276 Approved
0.5859 Remote Similarity NPD8275 Approved
0.5857 Remote Similarity NPD7492 Approved
0.585 Remote Similarity NPD7966 Clinical (unspecified phase)
0.5846 Remote Similarity NPD8140 Approved
0.5821 Remote Similarity NPD1376 Discontinued
0.5821 Remote Similarity NPD4632 Approved
0.5816 Remote Similarity NPD6616 Approved
0.5814 Remote Similarity NPD8081 Approved
0.5812 Remote Similarity NPD6110 Phase 1
0.5797 Remote Similarity NPD6054 Approved
0.5794 Remote Similarity NPD8029 Clinical (unspecified phase)
0.5793 Remote Similarity NPD8338 Approved
0.5789 Remote Similarity NPD7601 Clinical (unspecified phase)
0.5786 Remote Similarity NPD8328 Phase 3
0.5782 Remote Similarity NPD3089 Approved
0.5782 Remote Similarity NPD2574 Discontinued
0.5782 Remote Similarity NPD3088 Approved
0.5782 Remote Similarity NPD2571 Approved
0.5782 Remote Similarity NPD2572 Clinical (unspecified phase)
0.5782 Remote Similarity NPD4746 Phase 3
0.5782 Remote Similarity NPD2566 Approved
0.5782 Remote Similarity NPD3614 Approved
0.5782 Remote Similarity NPD3616 Approved
0.5782 Remote Similarity NPD3087 Approved
0.5782 Remote Similarity NPD2570 Approved
0.5782 Remote Similarity NPD2573 Approved
0.5782 Remote Similarity NPD4745 Approved
0.5782 Remote Similarity NPD3090 Approved
0.5782 Remote Similarity NPD3615 Approved
0.5775 Remote Similarity NPD7746 Phase 1
0.5775 Remote Similarity NPD7078 Approved
0.5775 Remote Similarity NPD7747 Phase 1
0.5769 Remote Similarity NPD8393 Approved
0.5755 Remote Similarity NPD6016 Approved
0.5755 Remote Similarity NPD8516 Approved
0.5755 Remote Similarity NPD8513 Phase 3
0.5755 Remote Similarity NPD8515 Approved
0.5755 Remote Similarity NPD8517 Approved
0.5755 Remote Similarity NPD6015 Approved
0.5746 Remote Similarity NPD8297 Approved
0.5734 Remote Similarity NPD7736 Approved
0.5725 Remote Similarity NPD5697 Approved
0.5725 Remote Similarity NPD8307 Discontinued
0.5714 Remote Similarity NPD5988 Approved
0.5714 Remote Similarity NPD5363 Approved
0.5714 Remote Similarity NPD6370 Approved
0.5714 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5705 Remote Similarity NPD4685 Phase 3
0.5705 Remote Similarity NPD4686 Approved
0.5705 Remote Similarity NPD4684 Phase 3
0.5705 Remote Similarity NPD6334 Approved
0.5705 Remote Similarity NPD6333 Approved
0.5694 Remote Similarity NPD7319 Approved
0.5693 Remote Similarity NPD6009 Approved
0.5685 Remote Similarity NPD2613 Approved
0.5683 Remote Similarity NPD6059 Approved
0.5682 Remote Similarity NPD6881 Approved
0.5682 Remote Similarity NPD6899 Approved
0.5672 Remote Similarity NPD7116 Clinical (unspecified phase)
0.5667 Remote Similarity NPD5786 Approved
0.5664 Remote Similarity NPD8293 Discontinued
0.5656 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5656 Remote Similarity NPD6101 Approved
0.5649 Remote Similarity NPD7128 Approved
0.5649 Remote Similarity NPD5739 Approved
0.5649 Remote Similarity NPD6402 Approved
0.5649 Remote Similarity NPD6675 Approved
0.5643 Remote Similarity NPD8269 Approved
0.5643 Remote Similarity NPD8268 Approved
0.5643 Remote Similarity NPD8266 Approved
0.5643 Remote Similarity NPD8267 Approved
0.5643 Remote Similarity NPD5983 Phase 2
0.5639 Remote Similarity NPD6014 Approved
0.5639 Remote Similarity NPD6013 Approved
0.5639 Remote Similarity NPD6012 Approved
0.5635 Remote Similarity NPD5349 Clinical (unspecified phase)
0.5635 Remote Similarity NPD4228 Discovery
0.5625 Remote Similarity NPD5667 Approved
0.5616 Remote Similarity NPD3664 Approved
0.5616 Remote Similarity NPD3661 Approved
0.5616 Remote Similarity NPD3662 Phase 3
0.5616 Remote Similarity NPD3663 Approved
0.5606 Remote Similarity NPD5701 Approved

Structure

External Identifiers

PubChem CID   5358779
ChEMBL   CHEMBL1992587
ZINC  

Physicochemical Properties

Molecular Weight:  381.18
ALogP:  -1.0166
MLogP:  2.67
XLogP:  0.08
# Rotatable Bonds:  5
Polar Surface Area:  105.67
# H-Bond Aceptor:  8
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  27

Download Data

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General Info & Identifiers & Properties  
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Biological Activities  
Similar NPs/Drugs