Natural Product: NPC235586

Natural Product ID:  NPC235586
Common Name:   Costic Acid
IUPAC Name:   2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
Synonyms:   Costic Acid
Molecular Formula:   C15H22O2
Standard InCHIKey:  UJQGVDNQDFTTLZ-VNHYZAJKSA-N
Standard InCHI:  InChI=1S/C15H22O2/c1-10-5-4-7-15(3)8-6-12(9-13(10)15)11(2)14(16)17/h12-13H,1-2,4-9H2,3H3,(H,16,17)/t12-,13+,15-/m1/s1
Canonical SMILES:  C=C1CCC[C@]2([C@H]1C[C@@H](CC2)C(=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
NPO6728 Rubus niveus Species Rosaceae Eukaryota UNPD*
NPO1550 Talaromyces purpureogenus Species Trichocomaceae Eukaryota UNPD*
NPO3089 Cistus villosus Species Cistaceae Eukaryota UNPD*
NPO21673 Lupinus caudatus Species Fabaceae Eukaryota UNPD*
NPO8415 Tetragonotheca ludoviciana Species Asteraceae Eukaryota UNPD*
NPO21540 Naucleopsis stipularis Species Moraceae Eukaryota UNPD*
NPO4821 Hypselodoris infucata Species Chromodorididae Eukaryota UNPD*
NPO19608 Aconitum likiangense Species Ranunculaceae Eukaryota UNPD*
NPO21224 Rubus pinfaensis Species Rosaceae Eukaryota UNPD*
NPO3030 Chaenorhinum villosum Species Plantaginaceae Eukaryota UNPD*
NPO17503 Conospermum incurvum Species Proteaceae Eukaryota UNPD*
NPO13003 Sogatella furcifera Species Delphacidae Eukaryota UNPD*
NPO13906 Ficus mucuso Species Moraceae Eukaryota UNPD*
NPO21612 Anthelia glauca Species Xeniidae Eukaryota UNPD*
NPO17763 Lobularia elongata Species Brassicaceae Eukaryota UNPD*
NPO7765 Quercus spicata Species Fagaceae Eukaryota UNPD*
NPO18782.1 Pulsatilla cernua var. koreana Varieties Ranunculaceae Eukaryota UNPD*
NPO1513 Penicillium nalgiovense Species Aspergillaceae Eukaryota UNPD*
NPO20044 Schistostephium crataegifolium Species Asteraceae Eukaryota UNPD*
NPO18806 Neodilsea yendoana Species Dumontiaceae Eukaryota UNPD*
NPO470 Prismatomeris connata Species Rubiaceae Eukaryota UNPD*
NPO7385 Schisandra sphenanthera Species Schisandraceae Eukaryota UNPD*
NPO20469 Acer caesium Species Aceraceae Eukaryota UNPD*
NPO3268 Callyspongia flammea Species Callyspongiidae Eukaryota UNPD*
NPO4194 Teucrium buxifolium Species Lamiaceae Eukaryota UNPD*
NPO3848 Myrtopsis macrocarpa Species Rutaceae Eukaryota UNPD*
NPO1953 Miltochrista calamina Species Erebidae Eukaryota UNPD*
NPO12730 Heracleum maximum Species Apiaceae Eukaryota UNPD*
NPO19874 Polygonatum glaberrimum Species Asparagaceae Eukaryota UNPD*
NPO7941 Marshallia obovata Species Asteraceae Eukaryota UNPD*
NPO21419 Biscogniauxia mediterranea Species Xylariaceae Eukaryota UNPD*
NPO19749 Carpolobia glabrescens Species Polygalaceae Eukaryota UNPD*
NPO19141 Aframomum melegueta Species Zingiberaceae Eukaryota UNPD*
NPO29639 Aucklandiae radix NA NA NA TCMSP*
NPO16895 Croton sarcopetalus Species Euphorbiaceae Eukaryota UNPD*
NPO10391 Dolomiaea souliei Species Asteraceae Eukaryota TCMID*
NPO20112 Syncephalastrum racemosum Species Syncephalastraceae Eukaryota UNPD*
NPO24009 Claviceps purpurea Species Clavicipitaceae Eukaryota TCMID*
NPO3435 Saussurea katochaete Species Asteraceae Eukaryota UNPD*
NPO20925 Fusarium culmorum Species Nectriaceae Eukaryota UNPD*
NPO20662 Epinephelus drummondhayi Species Serranidae Eukaryota UNPD*
NPO21134 Thaumetopoea pityocampa Species Notodontidae Eukaryota UNPD*
NPO21000 Elysia halimedae Species Placobranchidae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 22.5 mm 6790676
NPT79 Organism Bacillus subtilis Bacillus subtilis Inhibition = 74 % 6790676
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 26 mm 6790676
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 24 mm 6790676
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 22 mm 6790676
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 19 mm 6790676
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 16.5 mm 6790676
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 14.5 mm 6790676
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 0 mm 6790676
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 18 mm 6790676
NPT79 Organism Bacillus subtilis Bacillus subtilis Inhibition = 89 % 6790676
NPT79 Organism Bacillus subtilis Bacillus subtilis Inhibition = 85 % 6790676
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 20 mm 6790676
NPT79 Organism Bacillus subtilis Bacillus subtilis Inhibition = 80 % 6790676
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 21 mm 6790676
NPT79 Organism Bacillus subtilis Bacillus subtilis Inhibition = 60 % 6790676
NPT79 Organism Bacillus subtilis Bacillus subtilis Inhibition = 40 % 6790676
NPT79 Organism Bacillus subtilis Bacillus subtilis Inhibition = 0 % 6790676

  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 NPC235586 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
0.942 High Similarity NPC39362
0.9143 High Similarity NPC476795
0.8857 High Similarity NPC35656
0.8824 High Similarity NPC36616
0.8824 High Similarity NPC290445
0.8767 High Similarity NPC198240
0.8732 High Similarity NPC18819
0.8732 High Similarity NPC46610
0.8649 High Similarity NPC263951
0.863 High Similarity NPC471035
0.863 High Similarity NPC97377
0.863 High Similarity NPC212661
0.863 High Similarity NPC61952
0.8592 High Similarity NPC36310
0.8592 High Similarity NPC472813
0.8592 High Similarity NPC161187
0.8592 High Similarity NPC330659
0.8592 High Similarity NPC244708
0.8571 High Similarity NPC91369
0.8529 High Similarity NPC103734
0.8451 Intermediate Similarity NPC72343
0.8442 Intermediate Similarity NPC243347
0.8442 Intermediate Similarity NPC107253
0.8442 Intermediate Similarity NPC472740
0.8356 Intermediate Similarity NPC192540
0.8356 Intermediate Similarity NPC279666
0.8333 Intermediate Similarity NPC19849
0.8333 Intermediate Similarity NPC130966
0.8333 Intermediate Similarity NPC248758
0.8333 Intermediate Similarity NPC472864
0.8267 Intermediate Similarity NPC239098
0.8267 Intermediate Similarity NPC269543
0.8267 Intermediate Similarity NPC179028
0.8267 Intermediate Similarity NPC476810
0.8267 Intermediate Similarity NPC247783
0.8267 Intermediate Similarity NPC59436
0.8243 Intermediate Similarity NPC89294
0.8243 Intermediate Similarity NPC20466
0.8243 Intermediate Similarity NPC246445
0.8243 Intermediate Similarity NPC69143
0.8219 Intermediate Similarity NPC3753
0.8219 Intermediate Similarity NPC476046
0.8219 Intermediate Similarity NPC251970
0.8219 Intermediate Similarity NPC103958
0.8219 Intermediate Similarity NPC161923
0.8219 Intermediate Similarity NPC283908
0.8219 Intermediate Similarity NPC241854
0.8219 Intermediate Similarity NPC213223
0.8219 Intermediate Similarity NPC183503
0.8219 Intermediate Similarity NPC237591
0.8219 Intermediate Similarity NPC255168
0.8205 Intermediate Similarity NPC97913
0.8194 Intermediate Similarity NPC160817
0.8182 Intermediate Similarity NPC278459
0.8143 Intermediate Similarity NPC263161
0.8133 Intermediate Similarity NPC66105
0.8133 Intermediate Similarity NPC107039
0.8133 Intermediate Similarity NPC471897
0.8133 Intermediate Similarity NPC238227
0.8133 Intermediate Similarity NPC68828
0.8133 Intermediate Similarity NPC471899
0.8133 Intermediate Similarity NPC165711
0.8125 Intermediate Similarity NPC186975
0.8125 Intermediate Similarity NPC472869
0.8108 Intermediate Similarity NPC476844
0.8101 Intermediate Similarity NPC164577
0.8101 Intermediate Similarity NPC472865
0.8082 Intermediate Similarity NPC177826
0.8077 Intermediate Similarity NPC170985
0.8056 Intermediate Similarity NPC163020
0.8056 Intermediate Similarity NPC18543
0.8026 Intermediate Similarity NPC260385
0.8026 Intermediate Similarity NPC74410
0.8026 Intermediate Similarity NPC280654
0.8026 Intermediate Similarity NPC321690
0.8026 Intermediate Similarity NPC110094
0.8025 Intermediate Similarity NPC236618
0.8025 Intermediate Similarity NPC181103
0.8 Intermediate Similarity NPC476601
0.8 Intermediate Similarity NPC180886
0.8 Intermediate Similarity NPC309399
0.7975 Intermediate Similarity NPC49019
0.7975 Intermediate Similarity NPC215893
0.7973 Intermediate Similarity NPC301065
0.7949 Intermediate Similarity NPC90055
0.7949 Intermediate Similarity NPC40228
0.7949 Intermediate Similarity NPC471898
0.7945 Intermediate Similarity NPC21944
0.7927 Intermediate Similarity NPC472870
0.7927 Intermediate Similarity NPC117122
0.7927 Intermediate Similarity NPC48107
0.7922 Intermediate Similarity NPC158846
0.7922 Intermediate Similarity NPC231431
0.7922 Intermediate Similarity NPC192744
0.7922 Intermediate Similarity NPC16394
0.7922 Intermediate Similarity NPC199595
0.7901 Intermediate Similarity NPC9231
0.7901 Intermediate Similarity NPC185638
0.7901 Intermediate Similarity NPC85698
0.7895 Intermediate Similarity NPC266193
0.7895 Intermediate Similarity NPC474433
0.7895 Intermediate Similarity NPC257666
0.7895 Intermediate Similarity NPC106078
0.7895 Intermediate Similarity NPC74685
0.7875 Intermediate Similarity NPC476038
0.7875 Intermediate Similarity NPC194937
0.7875 Intermediate Similarity NPC263974
0.7867 Intermediate Similarity NPC472327
0.7867 Intermediate Similarity NPC201027
0.7848 Intermediate Similarity NPC238991
0.7848 Intermediate Similarity NPC302661
0.7838 Intermediate Similarity NPC279241
0.7831 Intermediate Similarity NPC262043
0.7831 Intermediate Similarity NPC66344
0.7821 Intermediate Similarity NPC104545
0.7821 Intermediate Similarity NPC37038
0.7821 Intermediate Similarity NPC271104
0.7805 Intermediate Similarity NPC136948
0.7805 Intermediate Similarity NPC476932
0.7805 Intermediate Similarity NPC476409
0.7805 Intermediate Similarity NPC305029
0.7792 Intermediate Similarity NPC275494
0.7792 Intermediate Similarity NPC169095
0.7792 Intermediate Similarity NPC471409
0.7792 Intermediate Similarity NPC321514
0.7792 Intermediate Similarity NPC62336
0.7778 Intermediate Similarity NPC86316
0.7778 Intermediate Similarity NPC474537
0.7778 Intermediate Similarity NPC65661
0.7778 Intermediate Similarity NPC283733
0.7778 Intermediate Similarity NPC29447
0.7778 Intermediate Similarity NPC269638
0.7778 Intermediate Similarity NPC106416
0.7763 Intermediate Similarity NPC104806
0.7763 Intermediate Similarity NPC263582
0.775 Intermediate Similarity NPC102197
0.775 Intermediate Similarity NPC105803
0.7738 Intermediate Similarity NPC472866
0.7722 Intermediate Similarity NPC232625
0.7722 Intermediate Similarity NPC142244
0.7722 Intermediate Similarity NPC267691
0.7722 Intermediate Similarity NPC14203
0.7722 Intermediate Similarity NPC147066
0.7722 Intermediate Similarity NPC274050
0.7722 Intermediate Similarity NPC209318
0.7722 Intermediate Similarity NPC162632
0.7722 Intermediate Similarity NPC477372
0.7722 Intermediate Similarity NPC223330
0.7722 Intermediate Similarity NPC221647
0.7722 Intermediate Similarity NPC263272
0.7722 Intermediate Similarity NPC229584
0.7714 Intermediate Similarity NPC234767
0.7714 Intermediate Similarity NPC53642
0.7714 Intermediate Similarity NPC470325
0.7711 Intermediate Similarity NPC72397
0.7711 Intermediate Similarity NPC104560
0.7711 Intermediate Similarity NPC50847
0.7703 Intermediate Similarity NPC133253
0.7692 Intermediate Similarity NPC327674
0.7692 Intermediate Similarity NPC477371
0.7692 Intermediate Similarity NPC192329
0.7692 Intermediate Similarity NPC471475
0.7683 Intermediate Similarity NPC70661
0.7683 Intermediate Similarity NPC475007
0.7683 Intermediate Similarity NPC322159
0.7683 Intermediate Similarity NPC187545
0.7683 Intermediate Similarity NPC82979
0.7662 Intermediate Similarity NPC149249
0.7662 Intermediate Similarity NPC132542
0.7662 Intermediate Similarity NPC472300
0.7662 Intermediate Similarity NPC476811
0.7654 Intermediate Similarity NPC165064
0.7654 Intermediate Similarity NPC96095
0.7647 Intermediate Similarity NPC474018
0.7647 Intermediate Similarity NPC470113
0.7647 Intermediate Similarity NPC476187
0.7647 Intermediate Similarity NPC473986
0.7639 Intermediate Similarity NPC472875
0.7632 Intermediate Similarity NPC476346
0.7625 Intermediate Similarity NPC251779
0.7625 Intermediate Similarity NPC123880
0.7625 Intermediate Similarity NPC226988
0.7625 Intermediate Similarity NPC471159
0.7625 Intermediate Similarity NPC476292
0.7625 Intermediate Similarity NPC320514
0.7625 Intermediate Similarity NPC69101
0.7625 Intermediate Similarity NPC474605
0.7619 Intermediate Similarity NPC116620
0.7619 Intermediate Similarity NPC174342
0.76 Intermediate Similarity NPC180015
0.76 Intermediate Similarity NPC130016
0.76 Intermediate Similarity NPC56747
0.76 Intermediate Similarity NPC109576
0.7595 Intermediate Similarity NPC476809
0.7595 Intermediate Similarity NPC477057
0.759 Intermediate Similarity NPC128644
0.7561 Intermediate Similarity NPC474680
0.7558 Intermediate Similarity NPC151722
0.7558 Intermediate Similarity NPC472871
0.7534 Intermediate Similarity NPC476629

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC235586 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
0.7407 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7375 Intermediate Similarity NPD4695 Discontinued
0.7349 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD4788 Approved
0.7262 Intermediate Similarity NPD4623 Approved
0.7262 Intermediate Similarity NPD4519 Discontinued
0.726 Intermediate Similarity NPD4224 Phase 2
0.7195 Intermediate Similarity NPD4221 Approved
0.7195 Intermediate Similarity NPD4223 Phase 3
0.7125 Intermediate Similarity NPD3617 Approved
0.7045 Intermediate Similarity NPD7515 Phase 2
0.7024 Intermediate Similarity NPD3666 Approved
0.7024 Intermediate Similarity NPD3665 Phase 1
0.7024 Intermediate Similarity NPD4197 Approved
0.7024 Intermediate Similarity NPD3133 Approved
0.7011 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.6988 Remote Similarity NPD3667 Approved
0.6977 Remote Similarity NPD3573 Approved
0.6941 Remote Similarity NPD5329 Approved
0.6889 Remote Similarity NPD7748 Approved
0.6882 Remote Similarity NPD6404 Discontinued
0.686 Remote Similarity NPD5205 Approved
0.686 Remote Similarity NPD4688 Approved
0.686 Remote Similarity NPD5330 Approved
0.686 Remote Similarity NPD3574 Clinical (unspecified phase)
0.686 Remote Similarity NPD7334 Approved
0.686 Remote Similarity NPD7146 Approved
0.686 Remote Similarity NPD6409 Approved
0.686 Remote Similarity NPD4690 Approved
0.686 Remote Similarity NPD5690 Phase 2
0.686 Remote Similarity NPD4689 Approved
0.686 Remote Similarity NPD4693 Phase 3
0.686 Remote Similarity NPD4138 Approved
0.686 Remote Similarity NPD7521 Approved
0.686 Remote Similarity NPD3618 Phase 1
0.686 Remote Similarity NPD6684 Approved
0.6854 Remote Similarity NPD5284 Approved
0.6854 Remote Similarity NPD8035 Phase 2
0.6854 Remote Similarity NPD8034 Phase 2
0.6854 Remote Similarity NPD5281 Approved
0.6824 Remote Similarity NPD4786 Approved
0.6795 Remote Similarity NPD6081 Approved
0.6778 Remote Similarity NPD6399 Phase 3
0.6739 Remote Similarity NPD7614 Phase 1
0.6705 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6705 Remote Similarity NPD6903 Approved
0.6705 Remote Similarity NPD5737 Approved
0.6705 Remote Similarity NPD5208 Approved
0.6705 Remote Similarity NPD6672 Approved
0.6667 Remote Similarity NPD5280 Approved
0.6667 Remote Similarity NPD6083 Phase 2
0.6667 Remote Similarity NPD6084 Phase 2
0.6667 Remote Similarity NPD4694 Approved
0.6667 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6098 Approved
0.6667 Remote Similarity NPD615 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7902 Approved
0.6667 Remote Similarity NPD4691 Approved
0.6667 Remote Similarity NPD5693 Phase 1
0.6667 Remote Similarity NPD6079 Approved
0.663 Remote Similarity NPD5695 Phase 3
0.6629 Remote Similarity NPD5328 Approved
0.6629 Remote Similarity NPD6904 Approved
0.6629 Remote Similarity NPD4753 Phase 2
0.6629 Remote Similarity NPD6080 Approved
0.6629 Remote Similarity NPD6673 Approved
0.6627 Remote Similarity NPD4195 Approved
0.6625 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6596 Remote Similarity NPD5696 Approved
0.6552 Remote Similarity NPD1694 Approved
0.6543 Remote Similarity NPD3702 Approved
0.6538 Remote Similarity NPD4137 Phase 3
0.6526 Remote Similarity NPD7640 Approved
0.6526 Remote Similarity NPD7639 Approved
0.6477 Remote Similarity NPD5279 Phase 3
0.6471 Remote Similarity NPD4139 Approved
0.6471 Remote Similarity NPD4692 Approved
0.6463 Remote Similarity NPD6117 Approved
0.6462 Remote Similarity NPD634 Phase 3
0.6456 Remote Similarity NPD4747 Approved
0.6452 Remote Similarity NPD5210 Approved
0.6452 Remote Similarity NPD4629 Approved
0.6437 Remote Similarity NPD3668 Phase 3
0.6421 Remote Similarity NPD4225 Approved
0.6421 Remote Similarity NPD7638 Approved
0.642 Remote Similarity NPD4058 Approved
0.6413 Remote Similarity NPD4202 Approved
0.641 Remote Similarity NPD5361 Clinical (unspecified phase)
0.641 Remote Similarity NPD5360 Phase 3
0.6392 Remote Similarity NPD5211 Phase 2
0.6386 Remote Similarity NPD6116 Phase 1
0.6383 Remote Similarity NPD5222 Approved
0.6383 Remote Similarity NPD5221 Approved
0.6383 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6374 Remote Similarity NPD5692 Phase 3
0.6374 Remote Similarity NPD5207 Approved
0.6344 Remote Similarity NPD7900 Approved
0.6344 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6344 Remote Similarity NPD6001 Approved
0.6329 Remote Similarity NPD3698 Phase 2
0.6329 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6329 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6316 Remote Similarity NPD5173 Approved
0.631 Remote Similarity NPD6115 Approved
0.631 Remote Similarity NPD5784 Clinical (unspecified phase)
0.631 Remote Similarity NPD6697 Approved
0.631 Remote Similarity NPD6114 Approved
0.631 Remote Similarity NPD6118 Approved
0.6304 Remote Similarity NPD5694 Approved
0.6304 Remote Similarity NPD6050 Approved
0.63 Remote Similarity NPD5697 Approved
0.6279 Remote Similarity NPD857 Phase 3
0.6277 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6269 Remote Similarity NPD622 Approved
0.6263 Remote Similarity NPD5141 Approved
0.625 Remote Similarity NPD4244 Approved
0.625 Remote Similarity NPD4245 Approved
0.625 Remote Similarity NPD4789 Approved
0.6238 Remote Similarity NPD6011 Approved
0.6238 Remote Similarity NPD6881 Approved
0.6238 Remote Similarity NPD6686 Approved
0.6238 Remote Similarity NPD6899 Approved
0.6234 Remote Similarity NPD7341 Phase 2
0.6211 Remote Similarity NPD4697 Phase 3
0.6211 Remote Similarity NPD7732 Phase 3
0.6203 Remote Similarity NPD3621 Clinical (unspecified phase)
0.62 Remote Similarity NPD5739 Approved
0.62 Remote Similarity NPD7128 Approved
0.62 Remote Similarity NPD6675 Approved
0.62 Remote Similarity NPD6402 Approved
0.6196 Remote Similarity NPD4096 Approved
0.6186 Remote Similarity NPD5285 Approved
0.6186 Remote Similarity NPD5286 Approved
0.6186 Remote Similarity NPD4696 Approved
0.6176 Remote Similarity NPD6013 Approved
0.6176 Remote Similarity NPD6012 Approved
0.6176 Remote Similarity NPD6014 Approved
0.6173 Remote Similarity NPD4758 Discontinued
0.6173 Remote Similarity NPD4243 Approved
0.6173 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6173 Remote Similarity NPD5777 Approved
0.6173 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6154 Remote Similarity NPD7331 Phase 2
0.6146 Remote Similarity NPD4755 Approved
0.6145 Remote Similarity NPD8039 Approved
0.6139 Remote Similarity NPD5701 Approved
0.6129 Remote Similarity NPD6411 Approved
0.6122 Remote Similarity NPD5223 Approved
0.6117 Remote Similarity NPD7290 Approved
0.6117 Remote Similarity NPD6883 Approved
0.6117 Remote Similarity NPD7102 Approved
0.6078 Remote Similarity NPD7320 Approved
0.6075 Remote Similarity NPD7115 Discovery
0.6071 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6064 Remote Similarity NPD5778 Approved
0.6064 Remote Similarity NPD5779 Approved
0.6064 Remote Similarity NPD5133 Approved
0.6061 Remote Similarity NPD4633 Approved
0.6061 Remote Similarity NPD5091 Approved
0.6061 Remote Similarity NPD5224 Approved
0.6061 Remote Similarity NPD5225 Approved
0.6061 Remote Similarity NPD5226 Approved
0.6061 Remote Similarity NPD7632 Discontinued
0.6058 Remote Similarity NPD6649 Approved
0.6058 Remote Similarity NPD6847 Approved
0.6058 Remote Similarity NPD6650 Approved
0.6058 Remote Similarity NPD6617 Approved
0.6058 Remote Similarity NPD6869 Approved
0.6058 Remote Similarity NPD8130 Phase 1
0.6056 Remote Similarity NPD3172 Approved
0.6053 Remote Similarity NPD4191 Approved
0.6053 Remote Similarity NPD4194 Approved
0.6053 Remote Similarity NPD4192 Approved
0.6053 Remote Similarity NPD4193 Approved
0.6024 Remote Similarity NPD4784 Approved
0.6024 Remote Similarity NPD4687 Approved
0.6024 Remote Similarity NPD4785 Approved
0.6024 Remote Similarity NPD5733 Approved
0.6022 Remote Similarity NPD5785 Approved
0.602 Remote Similarity NPD4700 Approved
0.6019 Remote Similarity NPD6373 Approved
0.6019 Remote Similarity NPD6372 Approved
0.6 Remote Similarity NPD5363 Approved
0.6 Remote Similarity NPD6882 Approved
0.6 Remote Similarity NPD5174 Approved
0.6 Remote Similarity NPD387 Clinical (unspecified phase)
0.6 Remote Similarity NPD1696 Phase 3
0.6 Remote Similarity NPD8297 Approved
0.6 Remote Similarity NPD5175 Approved
0.5981 Remote Similarity NPD5951 Approved
0.5978 Remote Similarity NPD4518 Approved
0.5976 Remote Similarity NPD5276 Approved
0.5972 Remote Similarity NPD4266 Approved
0.5972 Remote Similarity NPD3196 Approved
0.5972 Remote Similarity NPD3195 Phase 2
0.5972 Remote Similarity NPD3194 Approved
0.5957 Remote Similarity NPD7637 Suspended
0.5955 Remote Similarity NPD5362 Discontinued
0.5952 Remote Similarity NPD7339 Approved
0.5952 Remote Similarity NPD4190 Phase 3

Structure

External Identifiers

PubChem CID   6451579
ChEMBL   CHEMBL486398
ZINC  

Physicochemical Properties

Molecular Weight:  234.16
ALogP:  0.8364
MLogP:  2.89
XLogP:  4.735
# Rotatable Bonds:  4
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  17

Download Data

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