Natural Product: NPC250981

Natural Product ID:  NPC250981
Common Name:   Artersin
IUPAC Name:   (3S,3aS,5aR,6R,9bS)-6-hydroxy-3,5a,9-trimethyl-3,3a,4,5,6,7,8,9b-octahydrobenzo[g][1]benzofuran-2-one
Synonyms:  
Molecular Formula:   C15H22O3
Standard InCHIKey:  BWOPOAOBPJWDBF-UWSPEPLBSA-N
Standard InCHI:  InChI=1S/C15H22O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h9-11,13,16H,4-7H2,1-3H3/t9-,10-,11+,13-,15-/m0/s1
Canonical SMILES:  O=C1O[C@H]2[C@H]([C@@H]1C)CC[C@@]1(C2=C(C)CC[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
NPO26926 Montanoa frutescens Species Asteraceae Eukaryota UNPD*
NPO245 Euphorbia biglandulosa Species Euphorbiaceae Eukaryota UNPD*
NPO979 Salvinia imbricata Species Salviniaceae Eukaryota UNPD*
NPO15831 Panicum dichotomiflorum Species Poaceae Eukaryota UNPD*
NPO18294 Anacyclus clavatus Species Asteraceae Eukaryota UNPD*
NPO27447 Yucca aloifolia Species Asparagaceae Eukaryota UNPD*
NPO18226 Ajuga chia Species Lamiaceae Eukaryota UNPD*
NPO5306 Infundibulicybe catinus Species Tricholomataceae Eukaryota UNPD*
NPO4892 Viburnum davidii Species Adoxaceae Eukaryota UNPD*
NPO27554 Doryanthes palmeri Species Doryanthaceae Eukaryota UNPD*
NPO12395 Cardamine impatiens Species Brassicaceae Eukaryota UNPD*
NPO513 Agathosma scaberula Species Rutaceae Eukaryota UNPD*
NPO27073 Poranthera corymbosa Species Phyllanthaceae Eukaryota UNPD*
NPO27265 Hopea parviflora Species Dipterocarpaceae Eukaryota UNPD*
NPO27227 Matricaria occidentalis Species Asteraceae Eukaryota UNPD*
NPO13812 Illicium floridanum Species Schisandraceae Eukaryota UNPD*
NPO27533 Senecio bergii Species Asteraceae Eukaryota UNPD*
NPO16933 Halichondria cylindrata Species Halichondriidae Eukaryota UNPD*
NPO12407 Herba cichorii NA NA NA TCMID*
NPO1903 Cyperus haspan Species Cyperaceae Eukaryota UNPD*
NPO18776 Erlangea fusca Species Asteraceae Eukaryota UNPD*
NPO29531 Lupinus cosentinii Species Fabaceae Eukaryota UNPD*
NPO32813 ixeris dentata Species Asteraceae Eukaryota Roots PMID[26341134]
NPO27519 Alternaria chrysanthemi Species Pleosporaceae Eukaryota UNPD*
NPO5646 Phoma violacea Species Didymellaceae Eukaryota UNPD*
NPO23695 Setosphaeria turcica Species Pleosporaceae Eukaryota UNPD*
NPO11474 Ligusticum jeholense Species Apiaceae Eukaryota UNPD*
NPO21638 Attalea cohune Species Arecaceae Eukaryota UNPD*
NPO22448 Helichrysum nanum Species Asteraceae Eukaryota UNPD*
NPO27708 Mythimna separata Species Noctuidae Eukaryota UNPD*
NPO1138 Cirsium setidens Species Asteraceae Eukaryota UNPD*
NPO27304 Stevia sanguinea Species Asteraceae Eukaryota UNPD*
NPO6164 Lasiosiphon eriocephalus Species Thymelaeaceae Eukaryota UNPD*
NPO51 Petalonia fascia Species Scytosiphonaceae Eukaryota UNPD*
NPO18969 Dysidea etheria Species Dysideidae Eukaryota UNPD*
NPO17818 Acrantophis dumerili Species Boidae Eukaryota UNPD*
NPO4711 Goniothalamus thwaitesii Species Annonaceae Eukaryota UNPD*
NPO19178 Justicia hyssopifolia Species Acanthaceae Eukaryota UNPD*
NPO27836 Gymnodinium microadriaticum Species Gymnodiniaceae Eukaryota UNPD*
NPO6605 Neodiprion sertifer Species Diprionidae Eukaryota UNPD*
NPO14245.1 Veratrum album subsp. lobelianum Subspecies Melanthiaceae Eukaryota UNPD*
NPO2161 Strychnos ledermannii Species Loganiaceae Eukaryota UNPD*
NPO16046 Buchnerodendron speciosum NA NA NA UNPD*
NPO13123 Balanophora harlandii Species Balanophoraceae Eukaryota UNPD*
NPO9865 Cichorium intybus Species Asteraceae Eukaryota UNPD*
NPO2890 Scrophularia lepidota Species Scrophulariaceae Eukaryota UNPD*
NPO18565 Penicillium striatisporum Species Aspergillaceae Eukaryota UNPD*
NPO17388 Schefferomitra subaequalis NA NA NA UNPD*
NPO27409 Scabiosa atropurpurea Species Caprifoliaceae Eukaryota UNPD*
NPO15563 Valeriana prionophylla Species Caprifoliaceae Eukaryota UNPD*
NPO10635 Schkuhria pusilla Species Asteraceae Eukaryota UNPD*
NPO27155 Aconitum nasutum Species Ranunculaceae Eukaryota UNPD*
NPO14250 Schisandra henryi Species Schisandraceae Eukaryota UNPD*
NPO27355 Pseudokeronopsis rubra Species Pseudokeronopsidae Eukaryota UNPD*
NPO1401 Plocamium violaceum Species Plocamiaceae Eukaryota UNPD*
NPO17549 Polemonium caeruleum Species Polemoniaceae Eukaryota UNPD*
NPO27137 Ocotea usambarensis Species Lauraceae Eukaryota UNPD*
NPO1584 Tolypothrix tjipanasensis Species Tolypothrichaceae Bacteria UNPD*
NPO18627 Cardamine komarovii Species Brassicaceae Eukaryota UNPD*
NPO18501 Salvia carduacea Species Lamiaceae Eukaryota UNPD*
NPO16268 Blattella germanica Species Ectobiidae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 17.9 nM 26341134
NPT2 Others Unspecified Activity = 17.7 nM 26341134
NPT2 Others Unspecified Activity = 110.3 % 26341134
NPT2 Others Unspecified Activity = 110.4 % 26341134

  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 NPC250981 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
0.9286 High Similarity NPC277771
0.9186 High Similarity NPC186363
0.9186 High Similarity NPC233345
0.9048 High Similarity NPC6979
0.8876 High Similarity NPC183012
0.8778 High Similarity NPC154526
0.8778 High Similarity NPC472362
0.8778 High Similarity NPC472363
0.8764 High Similarity NPC471720
0.8764 High Similarity NPC250075
0.8721 High Similarity NPC305029
0.8706 High Similarity NPC52628
0.869 High Similarity NPC470948
0.8681 High Similarity NPC175351
0.8681 High Similarity NPC132753
0.8681 High Similarity NPC224356
0.8681 High Similarity NPC151681
0.8681 High Similarity NPC121402
0.8621 High Similarity NPC477128
0.8605 High Similarity NPC85698
0.8587 High Similarity NPC216478
0.8506 High Similarity NPC181103
0.8452 Intermediate Similarity NPC209318
0.8452 Intermediate Similarity NPC223330
0.8427 Intermediate Similarity NPC472307
0.8427 Intermediate Similarity NPC158488
0.8409 Intermediate Similarity NPC136879
0.8409 Intermediate Similarity NPC477302
0.8391 Intermediate Similarity NPC473226
0.8391 Intermediate Similarity NPC477920
0.8391 Intermediate Similarity NPC329692
0.8333 Intermediate Similarity NPC195424
0.8333 Intermediate Similarity NPC49420
0.8316 Intermediate Similarity NPC31058
0.8316 Intermediate Similarity NPC165250
0.8316 Intermediate Similarity NPC469606
0.8316 Intermediate Similarity NPC273005
0.8315 Intermediate Similarity NPC206001
0.8315 Intermediate Similarity NPC218927
0.8315 Intermediate Similarity NPC73995
0.8315 Intermediate Similarity NPC168131
0.8315 Intermediate Similarity NPC116620
0.8295 Intermediate Similarity NPC470012
0.828 Intermediate Similarity NPC91695
0.828 Intermediate Similarity NPC70145
0.8276 Intermediate Similarity NPC177932
0.8261 Intermediate Similarity NPC316215
0.8247 Intermediate Similarity NPC469607
0.8242 Intermediate Similarity NPC166346
0.8235 Intermediate Similarity NPC473420
0.8229 Intermediate Similarity NPC36688
0.8229 Intermediate Similarity NPC471208
0.8229 Intermediate Similarity NPC159533
0.8222 Intermediate Similarity NPC152467
0.8202 Intermediate Similarity NPC215831
0.8191 Intermediate Similarity NPC234617
0.8191 Intermediate Similarity NPC124703
0.8182 Intermediate Similarity NPC185638
0.8182 Intermediate Similarity NPC9231
0.8163 Intermediate Similarity NPC110496
0.8161 Intermediate Similarity NPC97505
0.8152 Intermediate Similarity NPC469596
0.8152 Intermediate Similarity NPC24861
0.8152 Intermediate Similarity NPC477129
0.8152 Intermediate Similarity NPC148000
0.8152 Intermediate Similarity NPC477130
0.8152 Intermediate Similarity NPC225474
0.814 Intermediate Similarity NPC226988
0.814 Intermediate Similarity NPC178676
0.8132 Intermediate Similarity NPC72845
0.8125 Intermediate Similarity NPC476081
0.8125 Intermediate Similarity NPC295791
0.8111 Intermediate Similarity NPC194642
0.8111 Intermediate Similarity NPC50488
0.8111 Intermediate Similarity NPC474396
0.8105 Intermediate Similarity NPC47024
0.8105 Intermediate Similarity NPC474012
0.8105 Intermediate Similarity NPC476299
0.8095 Intermediate Similarity NPC35574
0.809 Intermediate Similarity NPC312561
0.8085 Intermediate Similarity NPC474343
0.8085 Intermediate Similarity NPC285513
0.8085 Intermediate Similarity NPC254496
0.8081 Intermediate Similarity NPC189075
0.8081 Intermediate Similarity NPC275539
0.8068 Intermediate Similarity NPC147921
0.8065 Intermediate Similarity NPC259042
0.8065 Intermediate Similarity NPC157686
0.8046 Intermediate Similarity NPC22611
0.8043 Intermediate Similarity NPC139692
0.8043 Intermediate Similarity NPC470224
0.8043 Intermediate Similarity NPC474436
0.8043 Intermediate Similarity NPC63118
0.8043 Intermediate Similarity NPC49776
0.8041 Intermediate Similarity NPC476237
0.8022 Intermediate Similarity NPC44240
0.8021 Intermediate Similarity NPC81530
0.8021 Intermediate Similarity NPC235142
0.8 Intermediate Similarity NPC24816
0.8 Intermediate Similarity NPC23364
0.798 Intermediate Similarity NPC301666
0.7979 Intermediate Similarity NPC93245
0.7978 Intermediate Similarity NPC82979
0.7978 Intermediate Similarity NPC325594
0.7978 Intermediate Similarity NPC474062
0.7976 Intermediate Similarity NPC316500
0.7959 Intermediate Similarity NPC258532
0.7959 Intermediate Similarity NPC296950
0.7957 Intermediate Similarity NPC91010
0.7957 Intermediate Similarity NPC474554
0.7957 Intermediate Similarity NPC57117
0.7957 Intermediate Similarity NPC474555
0.7955 Intermediate Similarity NPC159635
0.7955 Intermediate Similarity NPC295799
0.7938 Intermediate Similarity NPC137430
0.7938 Intermediate Similarity NPC136289
0.7938 Intermediate Similarity NPC58329
0.7935 Intermediate Similarity NPC477574
0.7935 Intermediate Similarity NPC252433
0.7931 Intermediate Similarity NPC73882
0.7931 Intermediate Similarity NPC89555
0.7917 Intermediate Similarity NPC476303
0.7917 Intermediate Similarity NPC472644
0.7912 Intermediate Similarity NPC5509
0.79 Intermediate Similarity NPC325054
0.7895 Intermediate Similarity NPC136781
0.7895 Intermediate Similarity NPC473963
0.7889 Intermediate Similarity NPC171722
0.7889 Intermediate Similarity NPC471779
0.7889 Intermediate Similarity NPC473891
0.7879 Intermediate Similarity NPC478208
0.7879 Intermediate Similarity NPC477125
0.7879 Intermediate Similarity NPC475414
0.7879 Intermediate Similarity NPC252296
0.7879 Intermediate Similarity NPC173172
0.7872 Intermediate Similarity NPC69548
0.7872 Intermediate Similarity NPC53565
0.7872 Intermediate Similarity NPC134067
0.7872 Intermediate Similarity NPC90014
0.7872 Intermediate Similarity NPC184848
0.7865 Intermediate Similarity NPC329738
0.7865 Intermediate Similarity NPC110405
0.7865 Intermediate Similarity NPC476602
0.7857 Intermediate Similarity NPC92489
0.7857 Intermediate Similarity NPC8196
0.7857 Intermediate Similarity NPC120321
0.7857 Intermediate Similarity NPC99266
0.7849 Intermediate Similarity NPC477435
0.7849 Intermediate Similarity NPC271652
0.7849 Intermediate Similarity NPC477436
0.7849 Intermediate Similarity NPC115021
0.7849 Intermediate Similarity NPC99653
0.7849 Intermediate Similarity NPC147272
0.7841 Intermediate Similarity NPC194637
0.7835 Intermediate Similarity NPC303559
0.7826 Intermediate Similarity NPC280149
0.7826 Intermediate Similarity NPC221111
0.7826 Intermediate Similarity NPC469595
0.7826 Intermediate Similarity NPC153853
0.7826 Intermediate Similarity NPC20388
0.7826 Intermediate Similarity NPC281942
0.7826 Intermediate Similarity NPC212679
0.7826 Intermediate Similarity NPC220454
0.7826 Intermediate Similarity NPC232426
0.7816 Intermediate Similarity NPC38642
0.7816 Intermediate Similarity NPC282293
0.7816 Intermediate Similarity NPC475665
0.7812 Intermediate Similarity NPC478056
0.7812 Intermediate Similarity NPC164349
0.7812 Intermediate Similarity NPC473154
0.7812 Intermediate Similarity NPC316598
0.7802 Intermediate Similarity NPC226863
0.7802 Intermediate Similarity NPC473229
0.7802 Intermediate Similarity NPC242864
0.78 Intermediate Similarity NPC187435
0.78 Intermediate Similarity NPC67321
0.78 Intermediate Similarity NPC184512
0.78 Intermediate Similarity NPC475176
0.78 Intermediate Similarity NPC143609
0.78 Intermediate Similarity NPC230541
0.7791 Intermediate Similarity NPC281138
0.7791 Intermediate Similarity NPC89128
0.7789 Intermediate Similarity NPC242848
0.7789 Intermediate Similarity NPC165528
0.7789 Intermediate Similarity NPC17578
0.7789 Intermediate Similarity NPC284518
0.7789 Intermediate Similarity NPC473964
0.7789 Intermediate Similarity NPC202833
0.7789 Intermediate Similarity NPC327179
0.7789 Intermediate Similarity NPC134072
0.7789 Intermediate Similarity NPC228766
0.7789 Intermediate Similarity NPC234993
0.7789 Intermediate Similarity NPC240673
0.7789 Intermediate Similarity NPC7124
0.7778 Intermediate Similarity NPC73038
0.7778 Intermediate Similarity NPC118911
0.7778 Intermediate Similarity NPC322159
0.7778 Intermediate Similarity NPC146731
0.7778 Intermediate Similarity NPC28252
0.7778 Intermediate Similarity NPC222161

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC250981 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
0.8276 Intermediate Similarity NPD1694 Approved
0.766 Intermediate Similarity NPD6399 Phase 3
0.7629 Intermediate Similarity NPD4225 Approved
0.7476 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7449 Intermediate Similarity NPD7638 Approved
0.7404 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD3618 Phase 1
0.7374 Intermediate Similarity NPD7639 Approved
0.7374 Intermediate Similarity NPD7640 Approved
0.7347 Intermediate Similarity NPD7902 Approved
0.7333 Intermediate Similarity NPD3667 Approved
0.7228 Intermediate Similarity NPD7632 Discontinued
0.7216 Intermediate Similarity NPD7748 Approved
0.7188 Intermediate Similarity NPD8035 Phase 2
0.7188 Intermediate Similarity NPD8034 Phase 2
0.7188 Intermediate Similarity NPD7515 Phase 2
0.7174 Intermediate Similarity NPD4786 Approved
0.7156 Intermediate Similarity NPD7115 Discovery
0.7143 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD7900 Approved
0.7019 Intermediate Similarity NPD7128 Approved
0.7019 Intermediate Similarity NPD5739 Approved
0.7019 Intermediate Similarity NPD6675 Approved
0.7019 Intermediate Similarity NPD6402 Approved
0.701 Intermediate Similarity NPD6411 Approved
0.6981 Remote Similarity NPD6373 Approved
0.6981 Remote Similarity NPD6372 Approved
0.6979 Remote Similarity NPD5328 Approved
0.6952 Remote Similarity NPD5701 Approved
0.6952 Remote Similarity NPD5697 Approved
0.6939 Remote Similarity NPD4202 Approved
0.6939 Remote Similarity NPD5779 Approved
0.6939 Remote Similarity NPD5778 Approved
0.6887 Remote Similarity NPD6899 Approved
0.6887 Remote Similarity NPD6011 Approved
0.6887 Remote Similarity NPD7320 Approved
0.6887 Remote Similarity NPD6881 Approved
0.6857 Remote Similarity NPD6008 Approved
0.6852 Remote Similarity NPD6650 Approved
0.6852 Remote Similarity NPD6649 Approved
0.6842 Remote Similarity NPD5330 Approved
0.6842 Remote Similarity NPD7521 Approved
0.6842 Remote Similarity NPD6684 Approved
0.6842 Remote Similarity NPD7146 Approved
0.6842 Remote Similarity NPD7334 Approved
0.6842 Remote Similarity NPD6409 Approved
0.6837 Remote Similarity NPD6079 Approved
0.6822 Remote Similarity NPD6013 Approved
0.6822 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6822 Remote Similarity NPD6014 Approved
0.6822 Remote Similarity NPD6012 Approved
0.6809 Remote Similarity NPD3666 Approved
0.6809 Remote Similarity NPD3665 Phase 1
0.6809 Remote Similarity NPD3133 Approved
0.6804 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6804 Remote Similarity NPD6101 Approved
0.6778 Remote Similarity NPD6116 Phase 1
0.6759 Remote Similarity NPD6883 Approved
0.6759 Remote Similarity NPD7290 Approved
0.6759 Remote Similarity NPD7102 Approved
0.6742 Remote Similarity NPD8039 Approved
0.6735 Remote Similarity NPD5785 Approved
0.6733 Remote Similarity NPD4697 Phase 3
0.6729 Remote Similarity NPD6686 Approved
0.6701 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6701 Remote Similarity NPD6903 Approved
0.6697 Remote Similarity NPD6847 Approved
0.6697 Remote Similarity NPD6617 Approved
0.6697 Remote Similarity NPD6869 Approved
0.6697 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6697 Remote Similarity NPD8130 Phase 1
0.6667 Remote Similarity NPD6083 Phase 2
0.6667 Remote Similarity NPD4755 Approved
0.6667 Remote Similarity NPD6084 Phase 2
0.6667 Remote Similarity NPD6117 Approved
0.6636 Remote Similarity NPD6882 Approved
0.6636 Remote Similarity NPD8297 Approved
0.6634 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6634 Remote Similarity NPD5695 Phase 3
0.6632 Remote Similarity NPD3668 Phase 3
0.6629 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6602 Remote Similarity NPD5696 Approved
0.6598 Remote Similarity NPD3573 Approved
0.6574 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6571 Remote Similarity NPD5211 Phase 2
0.6569 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6569 Remote Similarity NPD5221 Approved
0.6569 Remote Similarity NPD5222 Approved
0.6566 Remote Similarity NPD46 Approved
0.6566 Remote Similarity NPD6698 Approved
0.6562 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6549 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6538 Remote Similarity NPD5286 Approved
0.6538 Remote Similarity NPD4700 Approved
0.6538 Remote Similarity NPD5285 Approved
0.6538 Remote Similarity NPD4696 Approved
0.6535 Remote Similarity NPD6001 Approved
0.6531 Remote Similarity NPD6672 Approved
0.6531 Remote Similarity NPD5737 Approved
0.6526 Remote Similarity NPD5362 Discontinued
0.6526 Remote Similarity NPD7154 Phase 3
0.6522 Remote Similarity NPD6114 Approved
0.6522 Remote Similarity NPD3617 Approved
0.6522 Remote Similarity NPD6115 Approved
0.6522 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6522 Remote Similarity NPD6697 Approved
0.6522 Remote Similarity NPD6118 Approved
0.6505 Remote Similarity NPD5173 Approved
0.65 Remote Similarity NPD5693 Phase 1
0.65 Remote Similarity NPD5281 Approved
0.65 Remote Similarity NPD7637 Suspended
0.65 Remote Similarity NPD5284 Approved
0.6495 Remote Similarity NPD5279 Phase 3
0.6495 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6486 Remote Similarity NPD6053 Discontinued
0.6484 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6476 Remote Similarity NPD5223 Approved
0.6466 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6466 Remote Similarity NPD8517 Approved
0.6466 Remote Similarity NPD8516 Approved
0.6466 Remote Similarity NPD8515 Approved
0.6466 Remote Similarity NPD8513 Phase 3
0.6465 Remote Similarity NPD1695 Approved
0.6465 Remote Similarity NPD6051 Approved
0.646 Remote Similarity NPD6274 Approved
0.6458 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6452 Remote Similarity NPD7645 Phase 2
0.6449 Remote Similarity NPD5141 Approved
0.6429 Remote Similarity NPD4632 Approved
0.6421 Remote Similarity NPD4270 Approved
0.6421 Remote Similarity NPD4269 Approved
0.6415 Remote Similarity NPD4633 Approved
0.6415 Remote Similarity NPD5224 Approved
0.6415 Remote Similarity NPD5226 Approved
0.6415 Remote Similarity NPD5225 Approved
0.6404 Remote Similarity NPD6317 Approved
0.64 Remote Similarity NPD5207 Approved
0.6392 Remote Similarity NPD1696 Phase 3
0.6387 Remote Similarity NPD7507 Approved
0.6383 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6383 Remote Similarity NPD7525 Registered
0.6383 Remote Similarity NPD4748 Discontinued
0.6374 Remote Similarity NPD6942 Approved
0.6374 Remote Similarity NPD7339 Approved
0.6364 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6364 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6355 Remote Similarity NPD5174 Approved
0.6355 Remote Similarity NPD4754 Approved
0.6355 Remote Similarity NPD5175 Approved
0.6348 Remote Similarity NPD6314 Approved
0.6348 Remote Similarity NPD6335 Approved
0.6348 Remote Similarity NPD6313 Approved
0.6327 Remote Similarity NPD6098 Approved
0.6327 Remote Similarity NPD4623 Approved
0.6327 Remote Similarity NPD5786 Approved
0.6327 Remote Similarity NPD4519 Discontinued
0.6321 Remote Similarity NPD4159 Approved
0.6321 Remote Similarity NPD5344 Discontinued
0.6316 Remote Similarity NPD4139 Approved
0.6316 Remote Similarity NPD4692 Approved
0.6316 Remote Similarity NPD5369 Approved
0.6316 Remote Similarity NPD6868 Approved
0.6306 Remote Similarity NPD6371 Approved
0.63 Remote Similarity NPD4753 Phase 2
0.63 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6293 Remote Similarity NPD7101 Approved
0.6293 Remote Similarity NPD7100 Approved
0.6283 Remote Similarity NPD8133 Approved
0.6261 Remote Similarity NPD6009 Approved
0.625 Remote Similarity NPD8413 Clinical (unspecified phase)
0.625 Remote Similarity NPD4223 Phase 3
0.625 Remote Similarity NPD6435 Approved
0.625 Remote Similarity NPD4221 Approved
0.6239 Remote Similarity NPD4768 Approved
0.6239 Remote Similarity NPD6319 Approved
0.6239 Remote Similarity NPD4767 Approved
0.623 Remote Similarity NPD7319 Approved
0.6224 Remote Similarity NPD5363 Approved
0.6224 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6222 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6222 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6214 Remote Similarity NPD5282 Discontinued
0.6211 Remote Similarity NPD4695 Discontinued
0.6211 Remote Similarity NPD4821 Approved
0.6211 Remote Similarity NPD4822 Approved
0.6211 Remote Similarity NPD4820 Approved
0.6211 Remote Similarity NPD4819 Approved
0.6211 Remote Similarity NPD4252 Approved
0.62 Remote Similarity NPD5208 Approved
0.6198 Remote Similarity NPD8074 Phase 3
0.6196 Remote Similarity NPD8264 Approved
0.6196 Remote Similarity NPD3702 Approved
0.6196 Remote Similarity NPD3703 Phase 2
0.6186 Remote Similarity NPD6908 Approved
0.6186 Remote Similarity NPD6909 Approved
0.6186 Remote Similarity NPD5983 Phase 2

Structure

External Identifiers

PubChem CID   10422228
ChEMBL   CHEMBL3622766
ZINC  

Physicochemical Properties

Molecular Weight:  250.16
ALogP:  0.4197
MLogP:  2.78
XLogP:  1.043
# Rotatable Bonds:  4
Polar Surface Area:  46.53
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  18

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs