Natural Product: NPC59436

Natural Product ID:  NPC59436
Common Name:   15-Nor-14-Oxolabda-8(17),12E-Dien-19-Oic Acid
IUPAC Name:   (1S,4aR,5S,8aR)-1,4a-dimethyl-6-methylidene-5-[(E)-3-methyl-4-oxobut-2-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Synonyms:  
Molecular Formula:   C19H28O3
Standard InCHIKey:  NBGCWDAYASHSEK-WCBDFPTQSA-N
Standard InCHI:  InChI=1S/C19H28O3/c1-13(12-20)6-8-15-14(2)7-9-16-18(15,3)10-5-11-19(16,4)17(21)22/h6,12,15-16H,2,5,7-11H2,1,3-4H3,(H,21,22)/b13-6+/t15-,16+,18+,19-/m0/s1
Canonical SMILES:  O=C/C(=C/C[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(=O)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
NPO11815 Mikania hirsutissima Species Asteraceae Eukaryota UNPD*
NPO7869 Peritassa campestris Species Celastraceae Eukaryota UNPD*
NPO12998 Salvia rubescens Species Lamiaceae Eukaryota UNPD*
NPO5013 Loranthus spicatus Species Loranthaceae Eukaryota UNPD*
NPO2300 Actinidia deliciosa Species Actinidiaceae Eukaryota UNPD*
NPO5392 Pachycereus pecten-aboriginum Species Cactaceae Eukaryota UNPD*
NPO17386 Securidaca longepedunculata Species Polygalaceae Eukaryota UNPD*
NPO9512 Phlomis fruticosa Species Lamiaceae Eukaryota UNPD*
NPO195 Maprounea guianensis Species Euphorbiaceae Eukaryota UNPD*
NPO8513 Pseudomonas fluorescens Species Pseudomonadaceae Bacteria UNPD*
NPO936 Pinalia spicata Species Orchidaceae Eukaryota UNPD*
NPO6741 Metasequoia glyptostroboides Species Cupressaceae Eukaryota Stems PMID[21226514]
NPO24264 Pinus luchuensis Species Pinaceae Eukaryota PMID[12502340]
NPO6741 Metasequoia glyptostroboides Species Cupressaceae Eukaryota Leaves PMID[21226514]
NPO32847 fokienia hodginsii Species Cupressaceae Eukaryota Twigs and Leaves PMID[23691952]
NPO1325 Bonnemaisonia asparagoides Species Bonnemaisoniaceae Eukaryota UNPD*
NPO12891 Minasia alpestris Species Asteraceae Eukaryota UNPD*
NPO468 Dryopteris oligophlebia Species Dryopteridaceae Eukaryota UNPD*
NPO6256 Eucalyptus umbra Species Myrtaceae Eukaryota UNPD*
NPO9040 Elsinoe annonae Species Elsinoaceae Eukaryota UNPD*
NPO8484 Codonopsis lanceolata Species Campanulaceae Eukaryota UNPD*
NPO7048 Eucalyptus rariflora Species Myrtaceae Eukaryota UNPD*
NPO9307 Ficus indica Species Ficidae Eukaryota UNPD*
NPO10738 Cotoneaster horizontalis Species Rosaceae Eukaryota UNPD*
NPO3385 Cassine transvaalensis Species Celastraceae Eukaryota UNPD*
NPO5827 Dalea tuberculata Species Fabaceae Eukaryota UNPD*
NPO7345 Ptilonia magellanica Species Bonnemaisoniaceae Eukaryota UNPD*
NPO8086 Lepechinia caulescens Species Lamiaceae Eukaryota UNPD*
NPO3740 Trisetum flavescens Species Poaceae Eukaryota UNPD*
NPO9928 Cephalaria cilicica Species Caprifoliaceae Eukaryota UNPD*
NPO11257 Momordica dioica Species Cucurbitaceae Eukaryota UNPD*
NPO12192 Coronilla scorpioides Species Fabaceae Eukaryota UNPD*
NPO6674 Burkholderia ambifaria Species Burkholderiaceae Bacteria UNPD*
NPO11555 Pterocaulon purpurascens Species Asteraceae Eukaryota UNPD*
NPO19898 Stevia lucida Species Asteraceae Eukaryota UNPD*
NPO1185 Stereocaulon strictum Species Stereocaulaceae Eukaryota UNPD*
NPO11097 Lepidium apetalum Species Brassicaceae Eukaryota UNPD*
NPO10399 Manfreda virginica Species Asparagaceae Eukaryota UNPD*
NPO16164 Podocarpus urbani Species Podocarpaceae Eukaryota UNPD*
NPO16067.1 Pseudotsuga sinensis var. wilsoniana Varieties Pinaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 0 % 12502340
NPT2 Others Unspecified Activity = 31.4 % 12502340
NPT2 Others Unspecified Activity = 68.5 % 12502340
NPT2 Others Unspecified Activity = 91.4 % 12502340
NPT80 Cell Line Raji Homo sapiens Activity = 70 % 12502340
NPT660 Cell Line SW480 Homo sapiens IC50 > 40000 nM 23691952
NPT83 Cell Line MCF7 Homo sapiens IC50 > 40000 nM 23691952
NPT81 Cell Line A549 Homo sapiens IC50 > 40000 nM 23691952
NPT659 Cell Line SMMC-7721 Homo sapiens IC50 > 40000 nM 23691952
NPT116 Cell Line HL-60 Homo sapiens IC50 > 40000 nM 23691952

  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 NPC59436 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
0.96 High Similarity NPC90055
0.8947 High Similarity NPC198240
0.8904 High Similarity NPC72343
0.8816 High Similarity NPC165711
0.8816 High Similarity NPC61952
0.8734 High Similarity NPC142683
0.8701 High Similarity NPC239098
0.8667 High Similarity NPC161923
0.8667 High Similarity NPC75485
0.8667 High Similarity NPC183503
0.8667 High Similarity NPC103958
0.8667 High Similarity NPC283908
0.8667 High Similarity NPC237591
0.8667 High Similarity NPC168975
0.8667 High Similarity NPC3753
0.8642 High Similarity NPC65661
0.8642 High Similarity NPC86316
0.8642 High Similarity NPC106416
0.8625 High Similarity NPC307258
0.8608 High Similarity NPC278459
0.8608 High Similarity NPC40228
0.8571 High Similarity NPC97377
0.8554 High Similarity NPC473229
0.8553 High Similarity NPC476795
0.8553 High Similarity NPC192540
0.8553 High Similarity NPC476844
0.8553 High Similarity NPC279666
0.8514 High Similarity NPC91369
0.85 High Similarity NPC238991
0.85 High Similarity NPC302661
0.8471 Intermediate Similarity NPC230064
0.8471 Intermediate Similarity NPC476187
0.8462 Intermediate Similarity NPC74410
0.8442 Intermediate Similarity NPC19907
0.8442 Intermediate Similarity NPC180886
0.8442 Intermediate Similarity NPC69143
0.8421 Intermediate Similarity NPC476046
0.8421 Intermediate Similarity NPC241854
0.8421 Intermediate Similarity NPC251970
0.8415 Intermediate Similarity NPC2709
0.84 Intermediate Similarity NPC160817
0.8395 Intermediate Similarity NPC102197
0.8375 Intermediate Similarity NPC229584
0.8375 Intermediate Similarity NPC14203
0.8375 Intermediate Similarity NPC471898
0.8372 Intermediate Similarity NPC151722
0.8354 Intermediate Similarity NPC327674
0.8333 Intermediate Similarity NPC471897
0.8333 Intermediate Similarity NPC104560
0.8333 Intermediate Similarity NPC471899
0.8333 Intermediate Similarity NPC472300
0.8333 Intermediate Similarity NPC470428
0.8333 Intermediate Similarity NPC107039
0.8293 Intermediate Similarity NPC19849
0.8293 Intermediate Similarity NPC248758
0.8293 Intermediate Similarity NPC472864
0.8289 Intermediate Similarity NPC35656
0.8276 Intermediate Similarity NPC471040
0.8272 Intermediate Similarity NPC200513
0.8267 Intermediate Similarity NPC235586
0.825 Intermediate Similarity NPC2482
0.825 Intermediate Similarity NPC104545
0.8243 Intermediate Similarity NPC36616
0.8243 Intermediate Similarity NPC290445
0.8235 Intermediate Similarity NPC477973
0.8235 Intermediate Similarity NPC174342
0.8228 Intermediate Similarity NPC253561
0.8228 Intermediate Similarity NPC260385
0.8228 Intermediate Similarity NPC62336
0.8228 Intermediate Similarity NPC80088
0.8228 Intermediate Similarity NPC321514
0.8228 Intermediate Similarity NPC280654
0.8228 Intermediate Similarity NPC476949
0.8228 Intermediate Similarity NPC110094
0.8205 Intermediate Similarity NPC89294
0.8205 Intermediate Similarity NPC470525
0.8205 Intermediate Similarity NPC309399
0.8205 Intermediate Similarity NPC263582
0.8193 Intermediate Similarity NPC474537
0.8193 Intermediate Similarity NPC474680
0.8193 Intermediate Similarity NPC29447
0.8182 Intermediate Similarity NPC166797
0.8182 Intermediate Similarity NPC301065
0.8171 Intermediate Similarity NPC105803
0.8171 Intermediate Similarity NPC312480
0.8171 Intermediate Similarity NPC215893
0.8171 Intermediate Similarity NPC97913
0.8148 Intermediate Similarity NPC121984
0.8148 Intermediate Similarity NPC473420
0.8148 Intermediate Similarity NPC477372
0.8148 Intermediate Similarity NPC327002
0.814 Intermediate Similarity NPC51486
0.8125 Intermediate Similarity NPC158846
0.8125 Intermediate Similarity NPC470429
0.8125 Intermediate Similarity NPC199595
0.8125 Intermediate Similarity NPC16394
0.8125 Intermediate Similarity NPC231431
0.8118 Intermediate Similarity NPC474474
0.8118 Intermediate Similarity NPC472870
0.8118 Intermediate Similarity NPC206060
0.8095 Intermediate Similarity NPC472869
0.8095 Intermediate Similarity NPC186975
0.809 Intermediate Similarity NPC471039
0.8077 Intermediate Similarity NPC201027
0.8072 Intermediate Similarity NPC476038
0.8072 Intermediate Similarity NPC194937
0.8072 Intermediate Similarity NPC476412
0.8072 Intermediate Similarity NPC96095
0.8072 Intermediate Similarity NPC164577
0.8072 Intermediate Similarity NPC472865
0.8072 Intermediate Similarity NPC470812
0.8052 Intermediate Similarity NPC472813
0.8052 Intermediate Similarity NPC144947
0.8049 Intermediate Similarity NPC103486
0.8049 Intermediate Similarity NPC320514
0.8046 Intermediate Similarity NPC177037
0.8046 Intermediate Similarity NPC472814
0.8046 Intermediate Similarity NPC477783
0.8046 Intermediate Similarity NPC470113
0.8025 Intermediate Similarity NPC477057
0.8025 Intermediate Similarity NPC476809
0.8025 Intermediate Similarity NPC472301
0.8025 Intermediate Similarity NPC37038
0.8025 Intermediate Similarity NPC472478
0.8025 Intermediate Similarity NPC474956
0.8025 Intermediate Similarity NPC271104
0.8023 Intermediate Similarity NPC184663
0.8023 Intermediate Similarity NPC469546
0.8023 Intermediate Similarity NPC251528
0.8023 Intermediate Similarity NPC5509
0.8023 Intermediate Similarity NPC66344
0.8 Intermediate Similarity NPC269543
0.8 Intermediate Similarity NPC179028
0.8 Intermediate Similarity NPC476810
0.8 Intermediate Similarity NPC476409
0.8 Intermediate Similarity NPC155198
0.8 Intermediate Similarity NPC236618
0.8 Intermediate Similarity NPC247783
0.7976 Intermediate Similarity NPC283733
0.7975 Intermediate Similarity NPC476601
0.7955 Intermediate Similarity NPC476416
0.7955 Intermediate Similarity NPC139692
0.7952 Intermediate Similarity NPC200752
0.7952 Intermediate Similarity NPC470165
0.7952 Intermediate Similarity NPC49019
0.7949 Intermediate Similarity NPC18819
0.7949 Intermediate Similarity NPC78527
0.7949 Intermediate Similarity NPC213223
0.7949 Intermediate Similarity NPC46610
0.7945 Intermediate Similarity NPC52449
0.7945 Intermediate Similarity NPC169275
0.7931 Intermediate Similarity NPC476437
0.7931 Intermediate Similarity NPC159748
0.7931 Intermediate Similarity NPC477782
0.7931 Intermediate Similarity NPC101651
0.7931 Intermediate Similarity NPC476369
0.7931 Intermediate Similarity NPC328141
0.7927 Intermediate Similarity NPC263272
0.7927 Intermediate Similarity NPC221647
0.7927 Intermediate Similarity NPC473217
0.7927 Intermediate Similarity NPC142244
0.7927 Intermediate Similarity NPC119229
0.7927 Intermediate Similarity NPC274050
0.7927 Intermediate Similarity NPC116797
0.7927 Intermediate Similarity NPC267691
0.7927 Intermediate Similarity NPC147066
0.7927 Intermediate Similarity NPC162632
0.7922 Intermediate Similarity NPC21944
0.7922 Intermediate Similarity NPC133253
0.7912 Intermediate Similarity NPC194196
0.7907 Intermediate Similarity NPC48107
0.7907 Intermediate Similarity NPC474925
0.7907 Intermediate Similarity NPC117122
0.7901 Intermediate Similarity NPC263951
0.7901 Intermediate Similarity NPC477371
0.7901 Intermediate Similarity NPC308038
0.7901 Intermediate Similarity NPC192329
0.7901 Intermediate Similarity NPC152061
0.7901 Intermediate Similarity NPC476177
0.7882 Intermediate Similarity NPC73038
0.7882 Intermediate Similarity NPC324063
0.7882 Intermediate Similarity NPC155011
0.7882 Intermediate Similarity NPC325594
0.7882 Intermediate Similarity NPC82979
0.7875 Intermediate Similarity NPC197659
0.7875 Intermediate Similarity NPC474433
0.7875 Intermediate Similarity NPC471035
0.7875 Intermediate Similarity NPC212661
0.7867 Intermediate Similarity NPC4370
0.7867 Intermediate Similarity NPC290350
0.7865 Intermediate Similarity NPC476415
0.7857 Intermediate Similarity NPC237712
0.7857 Intermediate Similarity NPC58841
0.7857 Intermediate Similarity NPC161423
0.7857 Intermediate Similarity NPC329043
0.7857 Intermediate Similarity NPC227064
0.7857 Intermediate Similarity NPC214043
0.7857 Intermediate Similarity NPC165064
0.7857 Intermediate Similarity NPC85774
0.7857 Intermediate Similarity NPC321187

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC59436 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
0.8272 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.8025 Intermediate Similarity NPD4695 Discontinued
0.7857 Intermediate Similarity NPD3665 Phase 1
0.7857 Intermediate Similarity NPD3666 Approved
0.7857 Intermediate Similarity NPD3133 Approved
0.7841 Intermediate Similarity NPD7515 Phase 2
0.7674 Intermediate Similarity NPD3618 Phase 1
0.7674 Intermediate Similarity NPD6409 Approved
0.7674 Intermediate Similarity NPD5330 Approved
0.7674 Intermediate Similarity NPD7146 Approved
0.7674 Intermediate Similarity NPD7521 Approved
0.7674 Intermediate Similarity NPD7334 Approved
0.7674 Intermediate Similarity NPD6684 Approved
0.7667 Intermediate Similarity NPD7748 Approved
0.7619 Intermediate Similarity NPD3667 Approved
0.7619 Intermediate Similarity NPD4221 Approved
0.7619 Intermediate Similarity NPD4223 Phase 3
0.75 Intermediate Similarity NPD6903 Approved
0.75 Intermediate Similarity NPD6672 Approved
0.75 Intermediate Similarity NPD5737 Approved
0.75 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7471 Intermediate Similarity NPD5279 Phase 3
0.7444 Intermediate Similarity NPD6079 Approved
0.7442 Intermediate Similarity NPD4786 Approved
0.7442 Intermediate Similarity NPD4197 Approved
0.7419 Intermediate Similarity NPD6083 Phase 2
0.7419 Intermediate Similarity NPD6084 Phase 2
0.7419 Intermediate Similarity NPD7902 Approved
0.7416 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7416 Intermediate Similarity NPD5328 Approved
0.7416 Intermediate Similarity NPD4753 Phase 2
0.7391 Intermediate Similarity NPD5695 Phase 3
0.7386 Intermediate Similarity NPD3573 Approved
0.7363 Intermediate Similarity NPD6399 Phase 3
0.7356 Intermediate Similarity NPD5329 Approved
0.7349 Intermediate Similarity NPD3617 Approved
0.734 Intermediate Similarity NPD5696 Approved
0.7312 Intermediate Similarity NPD4697 Phase 3
0.7273 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD4623 Approved
0.7273 Intermediate Similarity NPD5690 Phase 2
0.7273 Intermediate Similarity NPD5205 Approved
0.7273 Intermediate Similarity NPD4690 Approved
0.7273 Intermediate Similarity NPD4519 Discontinued
0.7273 Intermediate Similarity NPD4693 Phase 3
0.7273 Intermediate Similarity NPD4688 Approved
0.7273 Intermediate Similarity NPD4689 Approved
0.7273 Intermediate Similarity NPD4138 Approved
0.7253 Intermediate Similarity NPD5281 Approved
0.7253 Intermediate Similarity NPD5284 Approved
0.7204 Intermediate Similarity NPD5210 Approved
0.7204 Intermediate Similarity NPD4629 Approved
0.7174 Intermediate Similarity NPD4202 Approved
0.7159 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7128 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7128 Intermediate Similarity NPD5222 Approved
0.7128 Intermediate Similarity NPD7614 Phase 1
0.7128 Intermediate Similarity NPD5221 Approved
0.7126 Intermediate Similarity NPD4788 Approved
0.7125 Intermediate Similarity NPD4691 Approved
0.7111 Intermediate Similarity NPD5208 Approved
0.7097 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD7900 Approved
0.7079 Intermediate Similarity NPD5280 Approved
0.7079 Intermediate Similarity NPD4694 Approved
0.7059 Intermediate Similarity NPD4195 Approved
0.7053 Intermediate Similarity NPD5173 Approved
0.7045 Intermediate Similarity NPD3668 Phase 3
0.7033 Intermediate Similarity NPD6904 Approved
0.7033 Intermediate Similarity NPD6673 Approved
0.7033 Intermediate Similarity NPD6080 Approved
0.7 Intermediate Similarity NPD4137 Phase 3
0.7 Intermediate Similarity NPD5697 Approved
0.6979 Remote Similarity NPD7638 Approved
0.6979 Remote Similarity NPD4225 Approved
0.6966 Remote Similarity NPD1694 Approved
0.6931 Remote Similarity NPD6899 Approved
0.6931 Remote Similarity NPD6686 Approved
0.6931 Remote Similarity NPD6881 Approved
0.6931 Remote Similarity NPD6011 Approved
0.6914 Remote Similarity NPD4747 Approved
0.6907 Remote Similarity NPD4696 Approved
0.6907 Remote Similarity NPD5285 Approved
0.6907 Remote Similarity NPD7640 Approved
0.6907 Remote Similarity NPD6404 Discontinued
0.6907 Remote Similarity NPD7639 Approved
0.6907 Remote Similarity NPD5286 Approved
0.69 Remote Similarity NPD6402 Approved
0.69 Remote Similarity NPD5739 Approved
0.69 Remote Similarity NPD7128 Approved
0.69 Remote Similarity NPD6675 Approved
0.6889 Remote Similarity NPD6098 Approved
0.6882 Remote Similarity NPD5693 Phase 1
0.6882 Remote Similarity NPD6411 Approved
0.6875 Remote Similarity NPD4755 Approved
0.6867 Remote Similarity NPD4058 Approved
0.6863 Remote Similarity NPD6013 Approved
0.6863 Remote Similarity NPD6014 Approved
0.6863 Remote Similarity NPD6012 Approved
0.6842 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6837 Remote Similarity NPD5223 Approved
0.6835 Remote Similarity NPD7331 Phase 2
0.6832 Remote Similarity NPD5701 Approved
0.6796 Remote Similarity NPD7102 Approved
0.6796 Remote Similarity NPD6883 Approved
0.6796 Remote Similarity NPD7290 Approved
0.6786 Remote Similarity NPD8039 Approved
0.6774 Remote Similarity NPD4096 Approved
0.6774 Remote Similarity NPD5207 Approved
0.6774 Remote Similarity NPD5692 Phase 3
0.6771 Remote Similarity NPD7732 Phase 3
0.6768 Remote Similarity NPD5225 Approved
0.6768 Remote Similarity NPD5224 Approved
0.6768 Remote Similarity NPD4633 Approved
0.6768 Remote Similarity NPD5211 Phase 2
0.6768 Remote Similarity NPD5226 Approved
0.6765 Remote Similarity NPD7320 Approved
0.6744 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6737 Remote Similarity NPD6001 Approved
0.6735 Remote Similarity NPD4700 Approved
0.6731 Remote Similarity NPD6649 Approved
0.6731 Remote Similarity NPD6650 Approved
0.6731 Remote Similarity NPD8130 Phase 1
0.6731 Remote Similarity NPD6617 Approved
0.6731 Remote Similarity NPD6869 Approved
0.6731 Remote Similarity NPD6847 Approved
0.6709 Remote Similarity NPD7341 Phase 2
0.6706 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6702 Remote Similarity NPD5694 Approved
0.6702 Remote Similarity NPD8035 Phase 2
0.6702 Remote Similarity NPD6050 Approved
0.6702 Remote Similarity NPD8034 Phase 2
0.67 Remote Similarity NPD5174 Approved
0.67 Remote Similarity NPD5175 Approved
0.6699 Remote Similarity NPD6373 Approved
0.6699 Remote Similarity NPD6372 Approved
0.6667 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6924 Approved
0.6667 Remote Similarity NPD8297 Approved
0.6667 Remote Similarity NPD6882 Approved
0.6667 Remote Similarity NPD6926 Approved
0.6667 Remote Similarity NPD6101 Approved
0.6634 Remote Similarity NPD5141 Approved
0.6627 Remote Similarity NPD5276 Approved
0.6625 Remote Similarity NPD4224 Phase 2
0.6604 Remote Similarity NPD4632 Approved
0.6596 Remote Similarity NPD5785 Approved
0.6593 Remote Similarity NPD5363 Approved
0.6588 Remote Similarity NPD6942 Approved
0.6588 Remote Similarity NPD7339 Approved
0.6575 Remote Similarity NPD3172 Approved
0.6571 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6559 Remote Similarity NPD4518 Approved
0.6535 Remote Similarity NPD4754 Approved
0.6517 Remote Similarity NPD857 Phase 3
0.6517 Remote Similarity NPD4692 Approved
0.6517 Remote Similarity NPD4139 Approved
0.6512 Remote Similarity NPD6933 Approved
0.6505 Remote Similarity NPD6412 Phase 2
0.65 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6495 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6486 Remote Similarity NPD3194 Approved
0.6486 Remote Similarity NPD3195 Phase 2
0.6486 Remote Similarity NPD3196 Approved
0.6486 Remote Similarity NPD4266 Approved
0.6481 Remote Similarity NPD6274 Approved
0.6481 Remote Similarity NPD6868 Approved
0.6477 Remote Similarity NPD7645 Phase 2
0.6471 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6471 Remote Similarity NPD5733 Approved
0.6471 Remote Similarity NPD4687 Approved
0.6463 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6458 Remote Similarity NPD5778 Approved
0.6458 Remote Similarity NPD5779 Approved
0.6458 Remote Similarity NPD5133 Approved
0.6442 Remote Similarity NPD4729 Approved
0.6442 Remote Similarity NPD4730 Approved
0.6442 Remote Similarity NPD5128 Approved
0.6442 Remote Similarity NPD5168 Approved
0.6436 Remote Similarity NPD5091 Approved
0.6429 Remote Similarity NPD4243 Approved
0.6422 Remote Similarity NPD6317 Approved
0.6422 Remote Similarity NPD6009 Approved
0.6422 Remote Similarity NPD7115 Discovery
0.6408 Remote Similarity NPD4768 Approved
0.6408 Remote Similarity NPD4767 Approved
0.6408 Remote Similarity NPD6008 Approved
0.6404 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6404 Remote Similarity NPD7525 Registered
0.6404 Remote Similarity NPD5368 Approved
0.6395 Remote Similarity NPD3702 Approved
0.6386 Remote Similarity NPD6923 Approved
0.6386 Remote Similarity NPD6922 Approved
0.6374 Remote Similarity NPD5362 Discontinued
0.6364 Remote Similarity NPD6335 Approved
0.6364 Remote Similarity NPD6313 Approved
0.6364 Remote Similarity NPD6314 Approved
0.6354 Remote Similarity NPD7637 Suspended
0.6333 Remote Similarity NPD5369 Approved
0.6329 Remote Similarity NPD4194 Approved

Structure

External Identifiers

PubChem CID   44592589
ChEMBL   CHEMBL497937
ZINC  

Physicochemical Properties

Molecular Weight:  304.20
ALogP:  1.4937
MLogP:  3.22
XLogP:  4.533
# Rotatable Bonds:  8
Polar Surface Area:  54.37
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  22

Download Data

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