Natural Product: NPC279666

Natural Product ID:  NPC279666
Common Name:   Isopimaric Acid
IUPAC Name:   (1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
Synonyms:   Isopimaric Acid
Molecular Formula:   C20H30O2
Standard InCHIKey:  MXYATHGRPJZBNA-KRFUXDQASA-N
Standard InCHI:  InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20+/m0/s1
Canonical SMILES:  C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)O)C1
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
NPO16829 Dunaliella acidophila Species Dunaliellaceae Eukaryota UNPD*
NPO29039 Lignum pini nodi NA NA NA TCMSP*
NPO17068 Talaromyces wortmanni Species Trichocomaceae Eukaryota UNPD*
NPO18306 Juniperus thurifera Species Cupressaceae Eukaryota UNPD*
NPO20060 Styrax Species Styracaceae Eukaryota TCMSP*
NPO1257 Distephanus angulifolius Species Asteraceae Eukaryota UNPD*
NPO12796 Periploca sepium Species Apocynaceae Eukaryota UNPD*
NPO18840 Platycladi cacumen NA NA NA TCMSP*
NPO3463 Wrightia tinctoria Species Apocynaceae Eukaryota UNPD*
NPO21720 Talaromyces variabilis Species Trichocomaceae Eukaryota UNPD*
NPO12282 Parmelia conspersa Species Parmeliaceae Eukaryota UNPD*
NPO1475.1 Lilium brownii var. viridulum Varieties Liliaceae Eukaryota TCMID*
NPO24390 Juniperus rigida Species Cupressaceae Eukaryota TCMID*
NPO2905 Tinospora hainanensis Species Menispermaceae Eukaryota UNPD*
NPO5752 Pholas dactylus Species Pholadidae Eukaryota UNPD*
NPO15358 Entandrophragma cylindricum Species Meliaceae Eukaryota UNPD*
NPO7822.1 Eucalyptus globulus subsp. bicostata Subspecies Myrtaceae Eukaryota UNPD*
NPO15608 Tanacetum santolina Species Asteraceae Eukaryota UNPD*
NPO18562 Cephalotaxus wilsoniana Species Taxaceae Eukaryota TCMID*
NPO13963 Laurencia elata Species Rhodomelaceae Eukaryota UNPD*
NPO10605 Tristania conferta Species Myrtaceae Eukaryota UNPD*
NPO9704 Sonneratia caseolaris Species Lythraceae Eukaryota UNPD*
NPO6731 Ononis spinosa Species Fabaceae Eukaryota UNPD*
NPO28256 Platycladus orientalis Species Cupressaceae Eukaryota TCMID*
NPO17709 Timonius kaniensis Species Rubiaceae Eukaryota UNPD*
NPO3050 Cladonia pseudodidyma Species Cladoniaceae Eukaryota UNPD*
NPO7773 Crinum moorei Species Amaryllidaceae Eukaryota UNPD*
NPO11843 Stephania zippeliana Species Menispermaceae Eukaryota UNPD*
NPO1559 Pinus palustris Species Pinaceae Eukaryota TCMID*
NPO19189 Brickellia pendula Species Asteraceae Eukaryota UNPD*
NPO17802 Simmondsia chinensis Species Simmondsiaceae Eukaryota UNPD*
NPO25454 Plumbago europaea Species Plumbaginaceae Eukaryota UNPD*
NPO5365 Tetradenia glauca Species Lamiaceae Eukaryota UNPD*
NPO8443 Uvaria microcarpa Species Annonaceae Eukaryota UNPD*
NPO12714 Dracaena cochinchinensis Species Asparagaceae Eukaryota TCMID*
NPO12801 Aglaia meridionalis Species Meliaceae Eukaryota UNPD*
NPO18575 Ochtodes crockeri Species Rhizophyllidaceae Eukaryota UNPD*
NPO5764 Ophioglossum vulgatum Species Ophioglossaceae Eukaryota UNPD*
NPO7090 Ammi majus Species Apiaceae Eukaryota UNPD*
NPO13539 Thuja occidentalis Species Cupressaceae Eukaryota TCMID*
NPO10712 Tabebuia rosea Species Bignoniaceae Eukaryota UNPD*
NPO3746 Hesperocyparis nevadensis Species Cupressaceae Eukaryota UNPD*
NPO7174 Callyspongia truncata Species Callyspongiidae Eukaryota UNPD*
NPO18173 Pyrocystis lunula Species Pyrocystaceae Eukaryota UNPD*
NPO24390.1 Juniperus rigida var. conferta Varieties Cupressaceae Eukaryota TCMID*
NPO13135 Campylotropis hirtella Species Fabaceae Eukaryota UNPD*
NPO11190 Veronica polita Species Plantaginaceae Eukaryota UNPD*
NPO8962 Cousinia canescens Species Asteraceae Eukaryota UNPD*
NPO8140 Nauclea parva Species Rubiaceae Eukaryota UNPD*
NPO18377 Chaetomium retardatum Species Chaetomiaceae Eukaryota UNPD*
NPO10243 Trametes quercina Species Coriolaceae Eukaryota UNPD*
NPO17385 Magnolia acuminata Species Magnoliaceae Eukaryota UNPD*
NPO17718 Artemisia schmidtiana Species Asteraceae Eukaryota UNPD*
NPO3873 Crotalaria candicans Species Fabaceae Eukaryota UNPD*
NPO11603 Lathyrus macrorrhizus Species Fabaceae Eukaryota UNPD*
NPO8934 Gypsophila perfoliata Species Caryophyllaceae Eukaryota UNPD*
NPO23384 Rhodiola semenovii Species Crassulaceae Eukaryota UNPD*
NPO10922 Pentaclethra macrophylla Species Fabaceae Eukaryota UNPD*
NPO12068 Firmiana simplex Species Malvaceae Eukaryota UNPD*
NPO13594 Hippocratea indica Species Celastraceae Eukaryota UNPD*
NPO12714 Dracaena cochinchinensis Species Asparagaceae Eukaryota TCM_Taiwan*
NPO21302 Cladosporium herbarum Species Cladosporiaceae Eukaryota UNPD*
NPO16653 Matteuccia struthiopteris Species Onocleaceae Eukaryota UNPD*
NPO13539 Thuja occidentalis Species Cupressaceae Eukaryota PMID[11000026]
NPO11576 Glycosmis macrophylla Species Rutaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva DOI[10.1007/s11306-015-0840-5]
NPO5456 Juniperus drupacea Species Cupressaceae Eukaryota UNPD*
NPO16966 Leptospermum scoparium Species Myrtaceae Eukaryota UNPD*
NPO18242 Gleichenia glauca Species Gleicheniaceae Eukaryota UNPD*
NPO24390 Juniperus rigida Species Cupressaceae Eukaryota TCM_Taiwan*
NPO1255 Waitzia acuminata Species Asteraceae Eukaryota UNPD*
NPO9947 Teucrium scorodonia Species Lamiaceae Eukaryota UNPD*
NPO17839 Machaerium mucronulatum Species Dolichopodidae Eukaryota UNPD*
NPO28256 Platycladus orientalis Species Cupressaceae Eukaryota TCM_Taiwan*
NPO9604 Amycolatopsis lurida Species Pseudonocardiaceae Bacteria UNPD*
NPO16293 Babylonia japonica Species Buccinidae Eukaryota UNPD*
NPO21938 Coleus carnosus Species Lamiaceae Eukaryota UNPD*
NPO28430 Biota orientalis NA NA NA Leaves PMID[21793559]
NPO19127 Citrus tankan Species Rutaceae Eukaryota UNPD*
NPO18061 Anacystis cyanea NA NA NA UNPD*
NPO17190 Senecio erraticus Species Asteraceae Eukaryota UNPD*
NPO28430 Biota orientalis NA NA NA Twigs PMID[21793559]
NPO2669 Bowdichia virgilioides Species Fabaceae Eukaryota UNPD*
NPO12565 Hypericum polyanthemum Species Hypericaceae Eukaryota UNPD*
NPO9532 Vernonia cistifolia Species Asteraceae Eukaryota UNPD*
NPO7807 Polyporus sulphureus Species Polyporaceae Eukaryota UNPD*
NPO30653 Juniperus conferta Species Cupressaceae Eukaryota TCM_Taiwan*
NPO1406 Centaurea zuccariniana Species Asteraceae Eukaryota UNPD*
NPO865 Dendrobium loddigesii Species Orchidaceae Eukaryota UNPD*
NPO1338 Arcangelisia gusanlung Species Menispermaceae Eukaryota UNPD*
NPO18983 Cleidion brevipetiolatum Species Euphorbiaceae Eukaryota UNPD*
NPO18792 Crotalaria lechnaultii Species Fabaceae Eukaryota UNPD*
NPO9106 Pinus pithyusa Species Pinaceae Eukaryota UNPD*
NPO21689 Titanotrichum oldhamii Species Gesneriaceae Eukaryota UNPD*
NPO12385 Ventilago viminalis Species Rhamnaceae Eukaryota UNPD*
NPO28466 Torreya nucifera Species Taxaceae Eukaryota UNPD*
NPO12091 Martensia denticulata Species Delesseriaceae Eukaryota UNPD*
NPO12205 Eucalyptus apodophylla Species Myrtaceae Eukaryota UNPD*
NPO11730 Delphinium cossonianum Species Ranunculaceae Eukaryota UNPD*
NPO11677 Lactobacillus acidophilus Species Lactobacillaceae Bacteria UNPD*
NPO19057 Lentinellus omphalodes Species Auriscalpiaceae Eukaryota UNPD*
NPO526 Salvia sessei Species Lamiaceae Eukaryota UNPD*
NPO17596 Ficus maxima Species Moraceae Eukaryota UNPD*
NPO9319 Pterocaulon virgatum Species Asteraceae Eukaryota UNPD*
NPO6289 Ceropegia dichotoma Species Apocynaceae Eukaryota UNPD*
NPO5043 Eria japonica Species Orchidaceae Eukaryota UNPD*
NPO1815 Breonia chinensis Species Rubiaceae Eukaryota UNPD*
NPO22691 Mentha cardiaca Species Lamiaceae Eukaryota UNPD*
NPO10638 Plectranthus myrianthus Species Lamiaceae Eukaryota UNPD*
NPO4037 Veronica anagallis Species Plantaginaceae Eukaryota UNPD*
NPO18520 Helipterum strictum Species Asteraceae Eukaryota UNPD*
NPO18707 Allium ursinum Species Amaryllidaceae Eukaryota UNPD*
NPO17275 Chamaemelum scariosum Species Asteraceae Eukaryota UNPD*
NPO6937 Xylaria hypoxylon Species Xylariaceae Eukaryota UNPD*
NPO9535 Cortinarius basirubescens Species Cortinariaceae Eukaryota UNPD*
NPO18847 Copaifera paupera Species Fabaceae Eukaryota UNPD*
NPO4844 Acacia simplicifolia Species Fabaceae Eukaryota UNPD*
NPO12072 Escallonia philippiana Species Escalloniaceae Eukaryota UNPD*
NPO29706 Lilii bulbus NA NA NA TCMSP*
NPO17831 Millettia racemosa Species Fabaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 13.2 nM 11000026
NPT1856 Individual Protein Ornithine decarboxylase Mus musculus Activity = 0.86 nM 11000026
NPT2 Others Unspecified IC50 > 60000 nM 11000026
NPT91 Cell Line KB Homo sapiens IC50 > 60000 nM 11000026
NPT2 Others Unspecified Inhibition = 28.9 % 20934345
NPT2 Others Unspecified IC50 = 283500 nM 20934345
NPT443 Individual Protein Histone acetyltransferase GCN5 Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT2 Others Unspecified EC50 = 289500 nM 21793559
NPT2 Others Unspecified EC50 = 141600 nM 21793559
NPT2 Others Unspecified EC50 = 257000 nM 21793559
NPT2 Others Unspecified EC50 = 364800 nM 21793559
NPT2 Others Unspecified EC50 = 724100 nM 21793559
NPT2 Others Unspecified EC50 = 317000 nM 21793559

  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 NPC279666 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 NPC192540
0.9857 High Similarity NPC69143
0.9855 High Similarity NPC183503
0.9855 High Similarity NPC283908
0.9855 High Similarity NPC161923
0.9855 High Similarity NPC251970
0.9855 High Similarity NPC103958
0.9855 High Similarity NPC476046
0.9855 High Similarity NPC241854
0.9444 High Similarity NPC471899
0.9444 High Similarity NPC471897
0.9444 High Similarity NPC107039
0.9315 High Similarity NPC110094
0.9315 High Similarity NPC260385
0.9315 High Similarity NPC280654
0.9306 High Similarity NPC309399
0.9306 High Similarity NPC89294
0.9296 High Similarity NPC3753
0.9296 High Similarity NPC237591
0.9286 High Similarity NPC160817
0.9189 High Similarity NPC231431
0.9189 High Similarity NPC16394
0.9189 High Similarity NPC199595
0.9178 High Similarity NPC165711
0.9167 High Similarity NPC476844
0.9167 High Similarity NPC201027
0.9067 High Similarity NPC37038
0.9067 High Similarity NPC104545
0.9054 High Similarity NPC179028
0.9028 High Similarity NPC301065
0.9028 High Similarity NPC166797
0.8947 High Similarity NPC274050
0.8947 High Similarity NPC221647
0.8947 High Similarity NPC147066
0.8947 High Similarity NPC278459
0.8947 High Similarity NPC263272
0.8947 High Similarity NPC162632
0.8947 High Similarity NPC471898
0.8947 High Similarity NPC142244
0.8947 High Similarity NPC267691
0.8904 High Similarity NPC476795
0.8831 High Similarity NPC69101
0.8831 High Similarity NPC302661
0.8831 High Similarity NPC238991
0.8831 High Similarity NPC251779
0.8816 High Similarity NPC477057
0.88 High Similarity NPC321514
0.8784 High Similarity NPC180886
0.8767 High Similarity NPC255168
0.8734 High Similarity NPC29447
0.8734 High Similarity NPC474537
0.8718 High Similarity NPC200752
0.8718 High Similarity NPC167103
0.8718 High Similarity NPC477852
0.8718 High Similarity NPC70834
0.8701 High Similarity NPC38350
0.8701 High Similarity NPC201912
0.8684 High Similarity NPC158846
0.8684 High Similarity NPC327674
0.8684 High Similarity NPC477371
0.8667 High Similarity NPC61952
0.8667 High Similarity NPC472300
0.863 High Similarity NPC35656
0.863 High Similarity NPC161187
0.863 High Similarity NPC244708
0.863 High Similarity NPC330659
0.863 High Similarity NPC36310
0.8625 High Similarity NPC82979
0.8608 High Similarity NPC156981
0.8608 High Similarity NPC96095
0.8608 High Similarity NPC477289
0.8592 High Similarity NPC290445
0.8592 High Similarity NPC36616
0.859 High Similarity NPC73882
0.859 High Similarity NPC320514
0.859 High Similarity NPC260956
0.8571 High Similarity NPC476809
0.8571 High Similarity NPC26139
0.8553 High Similarity NPC59436
0.8553 High Similarity NPC239098
0.8553 High Similarity NPC198240
0.8553 High Similarity NPC74410
0.8533 High Similarity NPC899
0.8514 High Similarity NPC46610
0.8514 High Similarity NPC18819
0.85 High Similarity NPC76333
0.8481 Intermediate Similarity NPC105803
0.8481 Intermediate Similarity NPC102197
0.8481 Intermediate Similarity NPC69279
0.8481 Intermediate Similarity NPC83569
0.8481 Intermediate Similarity NPC215893
0.8462 Intermediate Similarity NPC473420
0.8462 Intermediate Similarity NPC327002
0.8462 Intermediate Similarity NPC477372
0.8442 Intermediate Similarity NPC474113
0.8442 Intermediate Similarity NPC192329
0.8421 Intermediate Similarity NPC97377
0.8395 Intermediate Similarity NPC325594
0.8395 Intermediate Similarity NPC155011
0.8395 Intermediate Similarity NPC324063
0.8395 Intermediate Similarity NPC73038
0.8378 Intermediate Similarity NPC177826
0.8375 Intermediate Similarity NPC248758
0.8356 Intermediate Similarity NPC91369
0.8356 Intermediate Similarity NPC235586
0.8354 Intermediate Similarity NPC133391
0.8333 Intermediate Similarity NPC2482
0.8333 Intermediate Similarity NPC267517
0.8313 Intermediate Similarity NPC262043
0.8312 Intermediate Similarity NPC275494
0.8312 Intermediate Similarity NPC4827
0.8312 Intermediate Similarity NPC471409
0.8293 Intermediate Similarity NPC142361
0.8293 Intermediate Similarity NPC142415
0.8293 Intermediate Similarity NPC307426
0.8293 Intermediate Similarity NPC158141
0.8293 Intermediate Similarity NPC173089
0.8293 Intermediate Similarity NPC68160
0.8293 Intermediate Similarity NPC293564
0.8293 Intermediate Similarity NPC51700
0.8293 Intermediate Similarity NPC102683
0.8293 Intermediate Similarity NPC18064
0.8293 Intermediate Similarity NPC242468
0.8293 Intermediate Similarity NPC136948
0.8293 Intermediate Similarity NPC88716
0.8293 Intermediate Similarity NPC171203
0.8293 Intermediate Similarity NPC130577
0.8293 Intermediate Similarity NPC98442
0.8293 Intermediate Similarity NPC96496
0.8293 Intermediate Similarity NPC474684
0.8293 Intermediate Similarity NPC71507
0.8289 Intermediate Similarity NPC246445
0.8289 Intermediate Similarity NPC104806
0.8286 Intermediate Similarity NPC234767
0.8272 Intermediate Similarity NPC474680
0.8272 Intermediate Similarity NPC269638
0.8267 Intermediate Similarity NPC306928
0.825 Intermediate Similarity NPC312480
0.825 Intermediate Similarity NPC97913
0.825 Intermediate Similarity NPC49019
0.825 Intermediate Similarity NPC477373
0.8243 Intermediate Similarity NPC72343
0.8228 Intermediate Similarity NPC40228
0.8228 Intermediate Similarity NPC121984
0.8228 Intermediate Similarity NPC14203
0.8228 Intermediate Similarity NPC474955
0.8228 Intermediate Similarity NPC3915
0.8228 Intermediate Similarity NPC229584
0.8228 Intermediate Similarity NPC90055
0.8228 Intermediate Similarity NPC14151
0.8205 Intermediate Similarity NPC196827
0.8205 Intermediate Similarity NPC274996
0.8205 Intermediate Similarity NPC215843
0.8193 Intermediate Similarity NPC474511
0.8193 Intermediate Similarity NPC246708
0.8193 Intermediate Similarity NPC473242
0.8193 Intermediate Similarity NPC470629
0.8193 Intermediate Similarity NPC290690
0.8193 Intermediate Similarity NPC182797
0.8193 Intermediate Similarity NPC17733
0.8193 Intermediate Similarity NPC52169
0.8193 Intermediate Similarity NPC474474
0.8193 Intermediate Similarity NPC474512
0.8193 Intermediate Similarity NPC181225
0.8193 Intermediate Similarity NPC48107
0.8193 Intermediate Similarity NPC40552
0.8193 Intermediate Similarity NPC1753
0.8182 Intermediate Similarity NPC66105
0.8182 Intermediate Similarity NPC471035
0.8182 Intermediate Similarity NPC212661
0.8182 Intermediate Similarity NPC68828
0.8171 Intermediate Similarity NPC322159
0.8171 Intermediate Similarity NPC72638
0.8171 Intermediate Similarity NPC262085
0.8148 Intermediate Similarity NPC472865
0.8148 Intermediate Similarity NPC472864
0.8148 Intermediate Similarity NPC164577
0.8148 Intermediate Similarity NPC194937
0.8148 Intermediate Similarity NPC476038
0.8148 Intermediate Similarity NPC165064
0.8148 Intermediate Similarity NPC19849
0.8125 Intermediate Similarity NPC310989
0.8125 Intermediate Similarity NPC193347
0.8125 Intermediate Similarity NPC151519
0.8118 Intermediate Similarity NPC301244
0.8101 Intermediate Similarity NPC108955
0.8101 Intermediate Similarity NPC472478
0.8101 Intermediate Similarity NPC469637
0.8095 Intermediate Similarity NPC25906
0.8095 Intermediate Similarity NPC95246
0.8095 Intermediate Similarity NPC64872
0.8095 Intermediate Similarity NPC59263
0.8095 Intermediate Similarity NPC474704
0.8095 Intermediate Similarity NPC234346
0.8095 Intermediate Similarity NPC281524
0.8095 Intermediate Similarity NPC198664
0.8095 Intermediate Similarity NPC475921
0.8095 Intermediate Similarity NPC143232
0.8095 Intermediate Similarity NPC274330
0.8095 Intermediate Similarity NPC121798

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC279666 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
0.8125 Intermediate Similarity NPD4223 Phase 3
0.8125 Intermediate Similarity NPD3667 Approved
0.8125 Intermediate Similarity NPD4221 Approved
0.8101 Intermediate Similarity NPD4695 Discontinued
0.7952 Intermediate Similarity NPD4519 Discontinued
0.7952 Intermediate Similarity NPD4623 Approved
0.7927 Intermediate Similarity NPD3665 Phase 1
0.7927 Intermediate Similarity NPD4197 Approved
0.7927 Intermediate Similarity NPD3666 Approved
0.7927 Intermediate Similarity NPD3133 Approved
0.7927 Intermediate Similarity NPD4786 Approved
0.7907 Intermediate Similarity NPD5284 Approved
0.7907 Intermediate Similarity NPD5281 Approved
0.7907 Intermediate Similarity NPD7515 Phase 2
0.7882 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD3573 Approved
0.7848 Intermediate Similarity NPD3617 Approved
0.7831 Intermediate Similarity NPD5329 Approved
0.7816 Intermediate Similarity NPD6399 Phase 3
0.7738 Intermediate Similarity NPD4693 Phase 3
0.7738 Intermediate Similarity NPD4689 Approved
0.7738 Intermediate Similarity NPD6409 Approved
0.7738 Intermediate Similarity NPD4138 Approved
0.7738 Intermediate Similarity NPD6684 Approved
0.7738 Intermediate Similarity NPD5330 Approved
0.7738 Intermediate Similarity NPD5690 Phase 2
0.7738 Intermediate Similarity NPD6098 Approved
0.7738 Intermediate Similarity NPD3618 Phase 1
0.7738 Intermediate Similarity NPD4688 Approved
0.7738 Intermediate Similarity NPD4690 Approved
0.7738 Intermediate Similarity NPD5205 Approved
0.7738 Intermediate Similarity NPD7521 Approved
0.7738 Intermediate Similarity NPD7334 Approved
0.7738 Intermediate Similarity NPD7146 Approved
0.7727 Intermediate Similarity NPD7748 Approved
0.7558 Intermediate Similarity NPD6903 Approved
0.7558 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7558 Intermediate Similarity NPD5208 Approved
0.7558 Intermediate Similarity NPD6672 Approved
0.7558 Intermediate Similarity NPD5737 Approved
0.7531 Intermediate Similarity NPD4195 Approved
0.7529 Intermediate Similarity NPD4694 Approved
0.7529 Intermediate Similarity NPD5280 Approved
0.7529 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD3668 Phase 3
0.75 Intermediate Similarity NPD4137 Phase 3
0.75 Intermediate Similarity NPD6079 Approved
0.7473 Intermediate Similarity NPD6084 Phase 2
0.7473 Intermediate Similarity NPD7902 Approved
0.7473 Intermediate Similarity NPD6083 Phase 2
0.7471 Intermediate Similarity NPD6080 Approved
0.7471 Intermediate Similarity NPD6673 Approved
0.7471 Intermediate Similarity NPD4753 Phase 2
0.7471 Intermediate Similarity NPD5328 Approved
0.7471 Intermediate Similarity NPD6904 Approved
0.747 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7444 Intermediate Similarity NPD5695 Phase 3
0.7412 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7403 Intermediate Similarity NPD4691 Approved
0.7403 Intermediate Similarity NPD4747 Approved
0.7391 Intermediate Similarity NPD5696 Approved
0.7386 Intermediate Similarity NPD5207 Approved
0.7368 Intermediate Similarity NPD3621 Clinical (unspecified phase)
0.7363 Intermediate Similarity NPD7614 Phase 1
0.7349 Intermediate Similarity NPD4692 Approved
0.7349 Intermediate Similarity NPD4139 Approved
0.7342 Intermediate Similarity NPD4058 Approved
0.7342 Intermediate Similarity NPD4785 Approved
0.7342 Intermediate Similarity NPD4784 Approved
0.7333 Intermediate Similarity NPD4224 Phase 2
0.7326 Intermediate Similarity NPD5279 Phase 3
0.7308 Intermediate Similarity NPD4243 Approved
0.7303 Intermediate Similarity NPD5693 Phase 1
0.7303 Intermediate Similarity NPD5694 Approved
0.7303 Intermediate Similarity NPD6411 Approved
0.7253 Intermediate Similarity NPD4629 Approved
0.7253 Intermediate Similarity NPD5210 Approved
0.7222 Intermediate Similarity NPD4202 Approved
0.7191 Intermediate Similarity NPD5692 Phase 3
0.7174 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD5221 Approved
0.7174 Intermediate Similarity NPD5222 Approved
0.716 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7900 Approved
0.7143 Intermediate Similarity NPD6001 Approved
0.7143 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7128 Intermediate Similarity NPD6404 Discontinued
0.7125 Intermediate Similarity NPD4687 Approved
0.7111 Intermediate Similarity NPD6050 Approved
0.7101 Intermediate Similarity NPD3172 Approved
0.7097 Intermediate Similarity NPD5173 Approved
0.7079 Intermediate Similarity NPD6101 Approved
0.7079 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7065 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD5697 Approved
0.7037 Intermediate Similarity NPD4190 Phase 3
0.7037 Intermediate Similarity NPD6942 Approved
0.7037 Intermediate Similarity NPD8039 Approved
0.7037 Intermediate Similarity NPD7339 Approved
0.7037 Intermediate Similarity NPD5275 Approved
0.7 Intermediate Similarity NPD4096 Approved
0.7 Intermediate Similarity NPD3194 Approved
0.7 Intermediate Similarity NPD3196 Approved
0.7 Intermediate Similarity NPD4266 Approved
0.7 Intermediate Similarity NPD3195 Phase 2
0.6989 Remote Similarity NPD4697 Phase 3
0.6977 Remote Similarity NPD4788 Approved
0.697 Remote Similarity NPD6011 Approved
0.697 Remote Similarity NPD6881 Approved
0.697 Remote Similarity NPD6899 Approved
0.6966 Remote Similarity NPD4518 Approved
0.6947 Remote Similarity NPD4696 Approved
0.6947 Remote Similarity NPD5285 Approved
0.6947 Remote Similarity NPD5286 Approved
0.6939 Remote Similarity NPD5739 Approved
0.6939 Remote Similarity NPD6675 Approved
0.6939 Remote Similarity NPD6402 Approved
0.6939 Remote Similarity NPD7128 Approved
0.6923 Remote Similarity NPD8035 Phase 2
0.6923 Remote Similarity NPD8034 Phase 2
0.6915 Remote Similarity NPD4755 Approved
0.6914 Remote Similarity NPD5733 Approved
0.6905 Remote Similarity NPD7645 Phase 2
0.69 Remote Similarity NPD6012 Approved
0.69 Remote Similarity NPD6014 Approved
0.69 Remote Similarity NPD6013 Approved
0.6883 Remote Similarity NPD7331 Phase 2
0.6875 Remote Similarity NPD6081 Approved
0.6875 Remote Similarity NPD5223 Approved
0.6875 Remote Similarity NPD5276 Approved
0.6869 Remote Similarity NPD5701 Approved
0.6848 Remote Similarity NPD5133 Approved
0.6842 Remote Similarity NPD7638 Approved
0.6832 Remote Similarity NPD7290 Approved
0.6832 Remote Similarity NPD7102 Approved
0.6832 Remote Similarity NPD6883 Approved
0.6818 Remote Similarity NPD1694 Approved
0.6809 Remote Similarity NPD7732 Phase 3
0.6804 Remote Similarity NPD4633 Approved
0.6804 Remote Similarity NPD5091 Approved
0.6804 Remote Similarity NPD5226 Approved
0.6804 Remote Similarity NPD5211 Phase 2
0.6804 Remote Similarity NPD5225 Approved
0.6804 Remote Similarity NPD5224 Approved
0.68 Remote Similarity NPD7320 Approved
0.6786 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6771 Remote Similarity NPD7639 Approved
0.6771 Remote Similarity NPD4700 Approved
0.6771 Remote Similarity NPD7640 Approved
0.6765 Remote Similarity NPD6649 Approved
0.6765 Remote Similarity NPD6847 Approved
0.6765 Remote Similarity NPD8130 Phase 1
0.6765 Remote Similarity NPD6650 Approved
0.6765 Remote Similarity NPD6617 Approved
0.6765 Remote Similarity NPD6869 Approved
0.6753 Remote Similarity NPD7341 Phase 2
0.6744 Remote Similarity NPD857 Phase 3
0.6735 Remote Similarity NPD5175 Approved
0.6735 Remote Similarity NPD5174 Approved
0.6733 Remote Similarity NPD6372 Approved
0.6733 Remote Similarity NPD6373 Approved
0.6707 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6702 Remote Similarity NPD5654 Approved
0.6699 Remote Similarity NPD8297 Approved
0.6699 Remote Similarity NPD6882 Approved
0.6667 Remote Similarity NPD5141 Approved
0.6667 Remote Similarity NPD5778 Approved
0.6667 Remote Similarity NPD5779 Approved
0.6635 Remote Similarity NPD4632 Approved
0.6628 Remote Similarity NPD7525 Registered
0.6627 Remote Similarity NPD3702 Approved
0.6602 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6579 Remote Similarity NPD4194 Approved
0.6579 Remote Similarity NPD4193 Approved
0.6579 Remote Similarity NPD4191 Approved
0.6579 Remote Similarity NPD4192 Approved
0.6571 Remote Similarity NPD28 Approved
0.6571 Remote Similarity NPD29 Approved
0.6566 Remote Similarity NPD4754 Approved
0.6566 Remote Similarity NPD6052 Approved
0.6562 Remote Similarity NPD5959 Approved
0.6548 Remote Similarity NPD6117 Approved
0.6538 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6535 Remote Similarity NPD6412 Phase 2
0.6535 Remote Similarity NPD6614 Approved
0.6522 Remote Similarity NPD6051 Approved
0.6522 Remote Similarity NPD3173 Approved
0.6509 Remote Similarity NPD6868 Approved
0.6506 Remote Similarity NPD6924 Approved
0.6506 Remote Similarity NPD6926 Approved
0.65 Remote Similarity NPD5361 Clinical (unspecified phase)
0.65 Remote Similarity NPD5360 Phase 3
0.6489 Remote Similarity NPD1088 Approved
0.6471 Remote Similarity NPD5168 Approved
0.6471 Remote Similarity NPD4730 Approved
0.6471 Remote Similarity NPD6686 Approved
0.6471 Remote Similarity NPD4729 Approved
0.6471 Remote Similarity NPD6116 Phase 1
0.6458 Remote Similarity NPD5349 Clinical (unspecified phase)
0.6449 Remote Similarity NPD7115 Discovery

Structure

External Identifiers

PubChem CID   442048
ChEMBL   CHEMBL512164
ZINC  

Physicochemical Properties

Molecular Weight:  302.22
ALogP:  1.9681
MLogP:  3.44
XLogP:  6.316
# Rotatable Bonds:  6
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  22

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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