Natural Product: NPC244790

Natural Product ID:  NPC244790
Common Name:   Oxyphyllol C
IUPAC Name:   (1S,4R,4aS,6R,8aS)-4,4a-dimethyl-6-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,8a-diol
Synonyms:   Oxyphyllol C
Molecular Formula:   C15H26O2
Standard InCHIKey:  SYQOXUZXBKCNIB-NIFZNCRKSA-N
Standard InCHI:  InChI=1S/C15H26O2/c1-10(2)12-7-8-15(17)13(16)6-5-11(3)14(15,4)9-12/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12-,13+,14+,15-/m1/s1
Canonical SMILES:  CC(=C)[C@@H]1CC[C@@]2([C@](C1)(C)[C@H](C)CC[C@@H]2O)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO22715 Alpinia oxyphylla Species Zingiberaceae Eukaryota fruit Hainan Province, China 1998 PMID[12398545]
NPO23660 Alpinia zerumbet Species Zingiberaceae Eukaryota UNPD*
NPO21483 Nonomuraea dietziae Species Streptosporangiaceae Bacteria UNPD*
NPO1674 Dalbergia nitidula Species Fabaceae Eukaryota UNPD*
NPO24118 Buxus hildebrandtii Species Buxaceae Eukaryota UNPD*
NPO21799 Bacillus litoralis Species Bacillaceae Bacteria UNPD*
NPO22924 Bombus terrestris Species Apidae Eukaryota UNPD*
NPO24589 Grindelia discoidea Species Asteraceae Eukaryota UNPD*
NPO24191 Drypetes tessmanniana Species Putranjivaceae Eukaryota UNPD*
NPO23288 Justicia betonica Species Acanthaceae Eukaryota UNPD*
NPO17445 Streptomyces corchorusii Species Streptomycetaceae Bacteria UNPD*
NPO23375 Hypericum reptans Species Hypericaceae Eukaryota UNPD*
NPO24328 Gratiola officinalis Species Plantaginaceae Eukaryota UNPD*
NPO24688 Streptomyces ramocissimus Species Streptomycetaceae Bacteria UNPD*
NPO28259 Viguiera pinnatilobata Species Asteraceae Eukaryota UNPD*
NPO18875 Aconitum contortum Species Ranunculaceae Eukaryota UNPD*
NPO24813 Agardhiella tenera Species Solieriaceae Eukaryota UNPD*
NPO25031 Petunia nyctaginiflora Species Solanaceae Eukaryota UNPD*
NPO18045 Holothuria atra Species Holothuriidae Eukaryota UNPD*
NPO23547 Strychnos amazonica Species Loganiaceae Eukaryota UNPD*
NPO22375 Saussurea salicifolia Species Asteraceae Eukaryota UNPD*
NPO23657 Ophiocordyceps heteropoda Species Ophiocordycipitaceae Eukaryota UNPD*
NPO22715 Alpinia oxyphylla Species Zingiberaceae Eukaryota UNPD*
NPO27031 Methanosarcina barkeri Species Methanosarcinaceae Archaea UNPD*
NPO25068 Zebrina pendula Species Enidae Eukaryota UNPD*
NPO23837 Rubus laciniatus Species Rosaceae Eukaryota UNPD*
NPO24456 Salvia lavandulifolia Species Lamiaceae Eukaryota UNPD*
NPO25130 Hylotrupes bajulus Species Cerambycidae Eukaryota UNPD*
NPO24493 Echinacea simulata Species Asteraceae Eukaryota UNPD*
NPO24406 Rhizophora tagal Species Rhizophoraceae Eukaryota UNPD*
NPO25106 Arnica parryi Species Asteraceae Eukaryota UNPD*
NPO23750 Escontria chiotilla Species Cactaceae Eukaryota UNPD*
NPO29503 Alstonia spectabilis Species Apocynaceae Eukaryota UNPD*
NPO24021 Eucryphia cordifolia Species Cunoniaceae Eukaryota UNPD*
NPO24900 Vladimiria muliensis NA NA NA UNPD*
NPO24268 Pteryxia terebinthina Species Apiaceae Eukaryota UNPD*
NPO24969 Ageratum mexicanum Species Asteraceae Eukaryota UNPD*
NPO3064 Alpiniae oxyphyliae fructus NA NA NA TCMSP*
NPO24874 Croton geayi Species Euphorbiaceae Eukaryota UNPD*
NPO24843 Pachygone dasycarpa Species Menispermaceae Eukaryota UNPD*
NPO27277 Stenocarpella maydis Species Diaporthaceae Eukaryota UNPD*
NPO19716 Uvaria lucida Species Annonaceae Eukaryota UNPD*
NPO24559 Cotinus coggygria Species Anacardiaceae Eukaryota UNPD*
NPO24754 Tsitsikamma favus Species Latrunculiidae Eukaryota UNPD*
NPO25226 Kalanchoe spathulata Species Crassulaceae Eukaryota UNPD*
NPO24659 Eremurus chinensis Species Asphodelaceae Eukaryota UNPD*
NPO22715 Alpinia oxyphylla Species Zingiberaceae Eukaryota TCMID*
NPO13455 Hemiselmis virescens Species Hemiselmidaceae Eukaryota UNPD*
NPO24937 Callicarpa acuminata Species Lamiaceae Eukaryota UNPD*
NPO21242 Neolitsea villosa Species Lauraceae Eukaryota UNPD*
NPO27093 Kniphofia foliosa Species Asphodelaceae Eukaryota UNPD*
NPO23149 Callistemon coccineus Species Myrtaceae Eukaryota UNPD*
NPO23478 Uncaria africana Species Rubiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT521 Cell Line RBL-2H3 Rattus norvegicus Inhibition = 2.4 % 12398545
NPT521 Cell Line RBL-2H3 Rattus norvegicus Inhibition = 8.2 % 12398545
NPT521 Cell Line RBL-2H3 Rattus norvegicus Inhibition = -1.1 % 12398545

  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 NPC244790 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
0.9403 High Similarity NPC95165
0.9365 High Similarity NPC101128
0.9231 High Similarity NPC269077
0.9231 High Similarity NPC139207
0.9231 High Similarity NPC253303
0.9231 High Similarity NPC185874
0.9062 High Similarity NPC144650
0.8923 High Similarity NPC282619
0.8923 High Similarity NPC60837
0.8923 High Similarity NPC2728
0.8923 High Similarity NPC258595
0.8923 High Similarity NPC172613
0.8923 High Similarity NPC208198
0.8923 High Similarity NPC11555
0.8806 High Similarity NPC276616
0.8806 High Similarity NPC245795
0.8788 High Similarity NPC473929
0.8769 High Similarity NPC68656
0.8732 High Similarity NPC91573
0.8696 High Similarity NPC167706
0.8696 High Similarity NPC242992
0.8571 High Similarity NPC189290
0.8571 High Similarity NPC474769
0.8551 High Similarity NPC283316
0.8507 High Similarity NPC475897
0.8493 Intermediate Similarity NPC102708
0.8472 Intermediate Similarity NPC470766
0.8429 Intermediate Similarity NPC164022
0.8406 Intermediate Similarity NPC210323
0.8406 Intermediate Similarity NPC9942
0.8333 Intermediate Similarity NPC3403
0.8333 Intermediate Similarity NPC66566
0.8333 Intermediate Similarity NPC477923
0.831 Intermediate Similarity NPC211009
0.8286 Intermediate Similarity NPC92801
0.8286 Intermediate Similarity NPC45296
0.8281 Intermediate Similarity NPC47663
0.8267 Intermediate Similarity NPC13554
0.8267 Intermediate Similarity NPC236112
0.8261 Intermediate Similarity NPC2648
0.8261 Intermediate Similarity NPC266578
0.8254 Intermediate Similarity NPC264779
0.8243 Intermediate Similarity NPC52755
0.8219 Intermediate Similarity NPC63958
0.8209 Intermediate Similarity NPC219940
0.8194 Intermediate Similarity NPC476366
0.8194 Intermediate Similarity NPC472503
0.8194 Intermediate Similarity NPC201048
0.8194 Intermediate Similarity NPC308440
0.8182 Intermediate Similarity NPC211135
0.8182 Intermediate Similarity NPC207013
0.8182 Intermediate Similarity NPC85095
0.8182 Intermediate Similarity NPC216420
0.8169 Intermediate Similarity NPC111234
0.8169 Intermediate Similarity NPC301226
0.8169 Intermediate Similarity NPC471268
0.8169 Intermediate Similarity NPC471271
0.8158 Intermediate Similarity NPC474531
0.8143 Intermediate Similarity NPC234511
0.8108 Intermediate Similarity NPC470711
0.8108 Intermediate Similarity NPC130136
0.8108 Intermediate Similarity NPC477924
0.8108 Intermediate Similarity NPC470758
0.8088 Intermediate Similarity NPC64123
0.8082 Intermediate Similarity NPC185536
0.8082 Intermediate Similarity NPC240235
0.8082 Intermediate Similarity NPC70982
0.8082 Intermediate Similarity NPC230704
0.8082 Intermediate Similarity NPC212879
0.8082 Intermediate Similarity NPC178383
0.8082 Intermediate Similarity NPC144075
0.8082 Intermediate Similarity NPC231256
0.8082 Intermediate Similarity NPC104387
0.8077 Intermediate Similarity NPC130966
0.8056 Intermediate Similarity NPC182717
0.8052 Intermediate Similarity NPC47763
0.8052 Intermediate Similarity NPC30166
0.8052 Intermediate Similarity NPC477599
0.8026 Intermediate Similarity NPC287749
0.8 Intermediate Similarity NPC472501
0.8 Intermediate Similarity NPC42853
0.8 Intermediate Similarity NPC285761
0.8 Intermediate Similarity NPC472342
0.8 Intermediate Similarity NPC31828
0.8 Intermediate Similarity NPC301707
0.7975 Intermediate Similarity NPC313115
0.7973 Intermediate Similarity NPC265588
0.7973 Intermediate Similarity NPC477925
0.7973 Intermediate Similarity NPC14112
0.7973 Intermediate Similarity NPC86305
0.7973 Intermediate Similarity NPC278091
0.7973 Intermediate Similarity NPC78067
0.7973 Intermediate Similarity NPC274079
0.7973 Intermediate Similarity NPC93662
0.7973 Intermediate Similarity NPC470749
0.7971 Intermediate Similarity NPC476406
0.7949 Intermediate Similarity NPC253402
0.7949 Intermediate Similarity NPC159168
0.7945 Intermediate Similarity NPC196358
0.7945 Intermediate Similarity NPC192638
0.7945 Intermediate Similarity NPC145552
0.7945 Intermediate Similarity NPC25511
0.7945 Intermediate Similarity NPC91858
0.7945 Intermediate Similarity NPC62657
0.7945 Intermediate Similarity NPC100334
0.7945 Intermediate Similarity NPC254509
0.7945 Intermediate Similarity NPC476736
0.7945 Intermediate Similarity NPC49168
0.7945 Intermediate Similarity NPC477138
0.7945 Intermediate Similarity NPC5046
0.7945 Intermediate Similarity NPC243342
0.7917 Intermediate Similarity NPC23954
0.7895 Intermediate Similarity NPC80530
0.7895 Intermediate Similarity NPC49627
0.7895 Intermediate Similarity NPC291379
0.7895 Intermediate Similarity NPC49599
0.7895 Intermediate Similarity NPC273410
0.7895 Intermediate Similarity NPC328714
0.7875 Intermediate Similarity NPC179591
0.7875 Intermediate Similarity NPC475069
0.7875 Intermediate Similarity NPC121981
0.7875 Intermediate Similarity NPC175145
0.7875 Intermediate Similarity NPC94462
0.7867 Intermediate Similarity NPC101475
0.7867 Intermediate Similarity NPC331618
0.7867 Intermediate Similarity NPC157996
0.7867 Intermediate Similarity NPC472805
0.7867 Intermediate Similarity NPC260301
0.7867 Intermediate Similarity NPC248830
0.7867 Intermediate Similarity NPC212241
0.7867 Intermediate Similarity NPC90979
0.7867 Intermediate Similarity NPC119355
0.7867 Intermediate Similarity NPC138502
0.7867 Intermediate Similarity NPC202540
0.7867 Intermediate Similarity NPC307336
0.7867 Intermediate Similarity NPC257191
0.7867 Intermediate Similarity NPC34177
0.7867 Intermediate Similarity NPC471798
0.7867 Intermediate Similarity NPC40394
0.7848 Intermediate Similarity NPC238992
0.7848 Intermediate Similarity NPC255882
0.7846 Intermediate Similarity NPC135438
0.7846 Intermediate Similarity NPC236588
0.7838 Intermediate Similarity NPC200243
0.7838 Intermediate Similarity NPC291503
0.7838 Intermediate Similarity NPC32832
0.7826 Intermediate Similarity NPC260116
0.7826 Intermediate Similarity NPC300442
0.7812 Intermediate Similarity NPC67508
0.7812 Intermediate Similarity NPC84824
0.7808 Intermediate Similarity NPC220939
0.7808 Intermediate Similarity NPC68443
0.7808 Intermediate Similarity NPC195489
0.7808 Intermediate Similarity NPC265485
0.7808 Intermediate Similarity NPC471799
0.7792 Intermediate Similarity NPC322313
0.7792 Intermediate Similarity NPC22403
0.7792 Intermediate Similarity NPC236237
0.7792 Intermediate Similarity NPC102253
0.7778 Intermediate Similarity NPC476948
0.7778 Intermediate Similarity NPC477600
0.7763 Intermediate Similarity NPC300499
0.7763 Intermediate Similarity NPC470396
0.7763 Intermediate Similarity NPC6978
0.7763 Intermediate Similarity NPC83351
0.7763 Intermediate Similarity NPC137587
0.7763 Intermediate Similarity NPC472500
0.7763 Intermediate Similarity NPC167891
0.7763 Intermediate Similarity NPC477819
0.7763 Intermediate Similarity NPC244385
0.7763 Intermediate Similarity NPC474989
0.7763 Intermediate Similarity NPC99168
0.7763 Intermediate Similarity NPC22955
0.7763 Intermediate Similarity NPC230295
0.7763 Intermediate Similarity NPC196753
0.7763 Intermediate Similarity NPC253807
0.7763 Intermediate Similarity NPC98386
0.7763 Intermediate Similarity NPC477817
0.7763 Intermediate Similarity NPC138621
0.7763 Intermediate Similarity NPC167037
0.7763 Intermediate Similarity NPC472499
0.7763 Intermediate Similarity NPC158662
0.7746 Intermediate Similarity NPC208999
0.7746 Intermediate Similarity NPC475893
0.7746 Intermediate Similarity NPC96484
0.7746 Intermediate Similarity NPC94192
0.7733 Intermediate Similarity NPC122418
0.7733 Intermediate Similarity NPC38141
0.7733 Intermediate Similarity NPC27765
0.7733 Intermediate Similarity NPC73875
0.7733 Intermediate Similarity NPC237460
0.7733 Intermediate Similarity NPC189883
0.7733 Intermediate Similarity NPC290598
0.7733 Intermediate Similarity NPC265328
0.7733 Intermediate Similarity NPC120098
0.7733 Intermediate Similarity NPC106432
0.7733 Intermediate Similarity NPC30590
0.7722 Intermediate Similarity NPC477978
0.7722 Intermediate Similarity NPC317458
0.7703 Intermediate Similarity NPC306727

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC244790 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
0.7792 Intermediate Similarity NPD7525 Registered
0.7662 Intermediate Similarity NPD7645 Phase 2
0.75 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6933 Approved
0.7397 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD7339 Approved
0.7368 Intermediate Similarity NPD6942 Approved
0.7237 Intermediate Similarity NPD6924 Approved
0.7237 Intermediate Similarity NPD6926 Approved
0.7108 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD3618 Phase 1
0.6951 Remote Similarity NPD3667 Approved
0.6944 Remote Similarity NPD371 Approved
0.6914 Remote Similarity NPD7509 Discontinued
0.6914 Remote Similarity NPD4748 Discontinued
0.6825 Remote Similarity NPD385 Approved
0.6825 Remote Similarity NPD384 Approved
0.6786 Remote Similarity NPD4786 Approved
0.6782 Remote Similarity NPD5328 Approved
0.6753 Remote Similarity NPD4243 Approved
0.6753 Remote Similarity NPD7150 Approved
0.6753 Remote Similarity NPD7152 Approved
0.6753 Remote Similarity NPD7151 Approved
0.6744 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6744 Remote Similarity NPD7524 Approved
0.6742 Remote Similarity NPD4202 Approved
0.6711 Remote Similarity NPD6923 Approved
0.6711 Remote Similarity NPD6922 Approved
0.6709 Remote Similarity NPD8264 Approved
0.6707 Remote Similarity NPD6931 Approved
0.6707 Remote Similarity NPD6930 Phase 2
0.6667 Remote Similarity NPD368 Approved
0.6667 Remote Similarity NPD4788 Approved
0.6629 Remote Similarity NPD7515 Phase 2
0.6629 Remote Similarity NPD6079 Approved
0.6623 Remote Similarity NPD7144 Approved
0.6623 Remote Similarity NPD7143 Approved
0.6623 Remote Similarity NPD4787 Phase 1
0.6588 Remote Similarity NPD3133 Approved
0.6588 Remote Similarity NPD3666 Approved
0.6588 Remote Similarity NPD3665 Phase 1
0.6585 Remote Similarity NPD6929 Approved
0.6582 Remote Similarity NPD4784 Approved
0.6582 Remote Similarity NPD4785 Approved
0.6543 Remote Similarity NPD6932 Approved
0.6528 Remote Similarity NPD1145 Discontinued
0.65 Remote Similarity NPD4190 Phase 3
0.65 Remote Similarity NPD5275 Approved
0.6494 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6494 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6471 Remote Similarity NPD6695 Phase 3
0.6463 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6452 Remote Similarity NPD4755 Approved
0.6444 Remote Similarity NPD8035 Phase 2
0.6444 Remote Similarity NPD8034 Phase 2
0.6421 Remote Similarity NPD4159 Approved
0.6395 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6386 Remote Similarity NPD4195 Approved
0.6386 Remote Similarity NPD6683 Phase 2
0.6383 Remote Similarity NPD4225 Approved
0.6344 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6344 Remote Similarity NPD5222 Approved
0.6344 Remote Similarity NPD5221 Approved
0.6344 Remote Similarity NPD4697 Phase 3
0.6341 Remote Similarity NPD6925 Approved
0.6341 Remote Similarity NPD5776 Phase 2
0.6329 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6329 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6322 Remote Similarity NPD6893 Approved
0.6316 Remote Similarity NPD4700 Approved
0.6316 Remote Similarity NPD4696 Approved
0.6316 Remote Similarity NPD5285 Approved
0.6316 Remote Similarity NPD5286 Approved
0.631 Remote Similarity NPD7332 Phase 2
0.631 Remote Similarity NPD7514 Phase 3
0.6304 Remote Similarity NPD7748 Approved
0.6296 Remote Similarity NPD3703 Phase 2
0.6277 Remote Similarity NPD5173 Approved
0.6265 Remote Similarity NPD7145 Approved
0.625 Remote Similarity NPD5223 Approved
0.6235 Remote Similarity NPD6898 Phase 1
0.6222 Remote Similarity NPD4753 Phase 2
0.622 Remote Similarity NPD6117 Approved
0.6211 Remote Similarity NPD7638 Approved
0.6211 Remote Similarity NPD5290 Discontinued
0.6207 Remote Similarity NPD3668 Phase 3
0.6186 Remote Similarity NPD5224 Approved
0.6186 Remote Similarity NPD5225 Approved
0.6186 Remote Similarity NPD5226 Approved
0.6186 Remote Similarity NPD5211 Phase 2
0.6186 Remote Similarity NPD4633 Approved
0.6184 Remote Similarity NPD3171 Clinical (unspecified phase)
0.618 Remote Similarity NPD7750 Discontinued
0.6173 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6163 Remote Similarity NPD4223 Phase 3
0.6163 Remote Similarity NPD4221 Approved
0.6154 Remote Similarity NPD388 Approved
0.6154 Remote Similarity NPD386 Approved
0.6146 Remote Similarity NPD7640 Approved
0.6146 Remote Similarity NPD7639 Approved
0.6145 Remote Similarity NPD6116 Phase 1
0.6122 Remote Similarity NPD5174 Approved
0.6122 Remote Similarity NPD5175 Approved
0.6122 Remote Similarity NPD4754 Approved
0.6105 Remote Similarity NPD7902 Approved
0.6078 Remote Similarity NPD4634 Approved
0.6076 Remote Similarity NPD3698 Phase 2
0.6071 Remote Similarity NPD6118 Approved
0.6071 Remote Similarity NPD6114 Approved
0.6071 Remote Similarity NPD6697 Approved
0.6071 Remote Similarity NPD6115 Approved
0.6067 Remote Similarity NPD5279 Phase 3
0.6067 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6061 Remote Similarity NPD5141 Approved
0.6056 Remote Similarity NPD342 Phase 1
0.6047 Remote Similarity NPD6902 Approved
0.604 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6023 Remote Similarity NPD4197 Approved
0.6022 Remote Similarity NPD6399 Phase 3
0.6 Remote Similarity NPD4767 Approved
0.6 Remote Similarity NPD4244 Approved
0.6 Remote Similarity NPD6675 Approved
0.6 Remote Similarity NPD5739 Approved
0.6 Remote Similarity NPD7128 Approved
0.6 Remote Similarity NPD4768 Approved
0.6 Remote Similarity NPD4245 Approved
0.6 Remote Similarity NPD6402 Approved
0.598 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5955 Remote Similarity NPD5329 Approved
0.5949 Remote Similarity NPD5361 Clinical (unspecified phase)
0.5949 Remote Similarity NPD5360 Phase 3
0.5941 Remote Similarity NPD5701 Approved
0.5941 Remote Similarity NPD5697 Approved
0.593 Remote Similarity NPD4695 Discontinued
0.5914 Remote Similarity NPD7087 Discontinued
0.5905 Remote Similarity NPD4632 Approved
0.5895 Remote Similarity NPD5210 Approved
0.5895 Remote Similarity NPD4629 Approved
0.5889 Remote Similarity NPD4688 Approved
0.5889 Remote Similarity NPD5205 Approved
0.5889 Remote Similarity NPD4138 Approved
0.5889 Remote Similarity NPD4623 Approved
0.5889 Remote Similarity NPD4689 Approved
0.5889 Remote Similarity NPD4519 Discontinued
0.5889 Remote Similarity NPD4690 Approved
0.5889 Remote Similarity NPD4693 Phase 3
0.5882 Remote Similarity NPD4729 Approved
0.5882 Remote Similarity NPD4730 Approved
0.5882 Remote Similarity NPD7320 Approved
0.5882 Remote Similarity NPD6881 Approved
0.5882 Remote Similarity NPD6011 Approved
0.5882 Remote Similarity NPD3671 Phase 1
0.5882 Remote Similarity NPD6899 Approved
0.5882 Remote Similarity NPD3617 Approved
0.5882 Remote Similarity NPD5128 Approved
0.5825 Remote Similarity NPD6013 Approved
0.5825 Remote Similarity NPD6373 Approved
0.5825 Remote Similarity NPD6014 Approved
0.5825 Remote Similarity NPD6012 Approved
0.5825 Remote Similarity NPD8132 Clinical (unspecified phase)
0.5825 Remote Similarity NPD6372 Approved
0.5824 Remote Similarity NPD3573 Approved
0.581 Remote Similarity NPD8297 Approved
0.5806 Remote Similarity NPD3168 Discontinued
0.5802 Remote Similarity NPD4789 Approved
0.5789 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5789 Remote Similarity NPD7900 Approved
0.5783 Remote Similarity NPD1810 Approved
0.5783 Remote Similarity NPD1811 Approved
0.578 Remote Similarity NPD7516 Approved
0.5778 Remote Similarity NPD1696 Phase 3
0.5773 Remote Similarity NPD6084 Phase 2
0.5773 Remote Similarity NPD6083 Phase 2
0.5769 Remote Similarity NPD5134 Clinical (unspecified phase)
0.5769 Remote Similarity NPD7102 Approved
0.5769 Remote Similarity NPD5250 Approved
0.5769 Remote Similarity NPD5248 Approved
0.5769 Remote Similarity NPD5249 Phase 3
0.5769 Remote Similarity NPD6883 Approved
0.5769 Remote Similarity NPD7290 Approved
0.5769 Remote Similarity NPD5169 Approved
0.5769 Remote Similarity NPD5247 Approved
0.5769 Remote Similarity NPD5251 Approved
0.5769 Remote Similarity NPD5135 Approved
0.5761 Remote Similarity NPD4722 Approved
0.5761 Remote Similarity NPD4723 Approved
0.5758 Remote Similarity NPD5344 Discontinued
0.5755 Remote Similarity NPD8133 Approved
0.575 Remote Similarity NPD6705 Phase 1
0.5747 Remote Similarity NPD6928 Phase 2
0.5741 Remote Similarity NPD7115 Discovery
0.5732 Remote Similarity NPD4758 Discontinued
0.5728 Remote Similarity NPD5168 Approved
0.5714 Remote Similarity NPD7146 Approved
0.5714 Remote Similarity NPD8130 Phase 1
0.5714 Remote Similarity NPD5216 Approved
0.5714 Remote Similarity NPD5690 Phase 2
0.5714 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5714 Remote Similarity NPD6684 Approved
0.5714 Remote Similarity NPD6409 Approved

Structure

External Identifiers

PubChem CID   10857540
ChEMBL   CHEMBL447862
ZINC  

Physicochemical Properties

Molecular Weight:  238.19
ALogP:  0.7975
MLogP:  2.89
XLogP:  3.49
# Rotatable Bonds:  6
Polar Surface Area:  40.46
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  17

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs