Natural Product: NPC91858

Natural Product ID:  NPC91858
Common Name:   Sandaracopimaradienediol
IUPAC Name:   (1R,2S,4aR,4bS,7R,10aR)-7-ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-ol
Synonyms:   Sandaracopimaradienediol
Molecular Formula:   C20H32O2
Standard InCHIKey:  OJSKJQFODPKTBT-APNJTCTJSA-N
Standard InCHI:  InChI=1S/C20H32O2/c1-5-18(2)10-8-15-14(12-18)6-7-16-19(15,3)11-9-17(22)20(16,4)13-21/h5,12,15-17,21-22H,1,6-11,13H2,2-4H3/t15-,16+,17-,18-,19+,20-/m0/s1
Canonical SMILES:  C=C[C@@]1(C)CC[C@H]2C(=C1)CC[C@@H]1[C@]2(C)CC[C@@H]([C@@]1(C)CO)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
NPO15295 Polyachyrus sphaerocephalus Species Asteraceae Eukaryota UNPD*
NPO4094 Aspergillus ruber Species Aspergillaceae Eukaryota UNPD*
NPO28253 Ceratiomyxa fruticulosa Species Ceratiomyxaceae Eukaryota UNPD*
NPO28534 Athrixia elata Species Asteraceae Eukaryota UNPD*
NPO32847 fokienia hodginsii Species Cupressaceae Eukaryota Twigs and Leaves PMID[23691952]
NPO27878 Viola hondoensis Species Violaceae Eukaryota UNPD*
NPO27480 Pinna muricata Species Pinnidae Eukaryota UNPD*
NPO28433 Russula queletii Species Russulaceae Eukaryota UNPD*
NPO28256 Platycladus orientalis Species Cupressaceae Eukaryota leaves Soorkesh Valley, Gollestan, Iran PMID[15104493]
NPO18520 Helipterum strictum Species Asteraceae Eukaryota UNPD*
NPO18983 Cleidion brevipetiolatum Species Euphorbiaceae Eukaryota UNPD*
NPO28256 Platycladus orientalis Species Cupressaceae Eukaryota Leaves and branches Soorkesh Valley, Gollestan, Iran PMID[15104493]
NPO27689 Mentha pulegium Species Lamiaceae Eukaryota UNPD*
NPO18173 Pyrocystis lunula Species Pyrocystaceae Eukaryota UNPD*
NPO28430 Biota orientalis NA NA NA Twigs PMID[21793559]
NPO16829 Dunaliella acidophila Species Dunaliellaceae Eukaryota UNPD*
NPO21938 Coleus carnosus Species Lamiaceae Eukaryota UNPD*
NPO18575 Ochtodes crockeri Species Rhizophyllidaceae Eukaryota UNPD*
NPO12072 Escallonia philippiana Species Escalloniaceae Eukaryota UNPD*
NPO9367 Jacobaea argunensis Species Asteraceae Eukaryota UNPD*
NPO28276 Artemisia argyi Species Asteraceae Eukaryota UNPD*
NPO17802 Simmondsia chinensis Species Simmondsiaceae Eukaryota UNPD*
NPO18707 Allium ursinum Species Amaryllidaceae Eukaryota UNPD*
NPO7807 Polyporus sulphureus Species Polyporaceae Eukaryota UNPD*
NPO17275 Chamaemelum scariosum Species Asteraceae Eukaryota UNPD*
NPO3050 Cladonia pseudodidyma Species Cladoniaceae Eukaryota UNPD*
NPO28208 Salvia dichroa Species Lamiaceae Eukaryota UNPD*
NPO17152 Pittocaulon bombycophole Species Asteraceae Eukaryota UNPD*
NPO28321 Cortinellus berkeleyanus NA NA NA UNPD*
NPO17839 Machaerium mucronulatum Species Dolichopodidae Eukaryota UNPD*
NPO14888 Pelargonium x hortorum Species Geraniaceae Eukaryota UNPD*
NPO28168 Armina maculata Species NA Eukaryota UNPD*
NPO15608 Tanacetum santolina Species Asteraceae Eukaryota UNPD*
NPO28330 Colchicum arenarium Species Colchicaceae Eukaryota UNPD*
NPO18242 Gleichenia glauca Species Gleicheniaceae Eukaryota UNPD*
NPO28378 Kokoona ochracea Species Celastraceae Eukaryota UNPD*
NPO27334 Siphula roccellaeformis Species Icmadophilaceae Eukaryota UNPD*
NPO20121 Afraegle paniculata Species Rutaceae Eukaryota UNPD*
NPO17190 Senecio erraticus Species Asteraceae Eukaryota UNPD*
NPO25454 Plumbago europaea Species Plumbaginaceae Eukaryota UNPD*
NPO28345 Cladanthus arabicus Species Asteraceae Eukaryota UNPD*
NPO27861 Laggera aurita Species Asteraceae Eukaryota UNPD*
NPO19127 Citrus tankan Species Rutaceae Eukaryota UNPD*
NPO9138 Syzygium cumini Species Myrtaceae Eukaryota UNPD*
NPO27681 Mikania grazielae Species Asteraceae Eukaryota UNPD*
NPO28305 Daphnandra johnsonii Species Atherospermataceae Eukaryota UNPD*
NPO1338 Arcangelisia gusanlung Species Menispermaceae Eukaryota UNPD*
NPO27318 Sideritis lanata Species Lamiaceae Eukaryota UNPD*
NPO10712 Tabebuia rosea Species Bignoniaceae Eukaryota UNPD*
NPO27894 Rubus pungens Species Rosaceae Eukaryota UNPD*
NPO28499 Aethalium septicum NA NA NA UNPD*
NPO3746 Hesperocyparis nevadensis Species Cupressaceae Eukaryota UNPD*
NPO28512 Astragalus glycyphyllos Species Fabaceae Eukaryota UNPD*
NPO23272 Cassinia subtropica Species Asteraceae Eukaryota UNPD*
NPO27220 Centaurea cheiranthifolia Species Asteraceae Eukaryota UNPD*
NPO28191 Hardwickia pinnata Species Fabaceae Eukaryota UNPD*
NPO13963 Laurencia elata Species Rhodomelaceae Eukaryota UNPD*
NPO18847 Copaifera paupera Species Fabaceae Eukaryota UNPD*
NPO27350 Scytalidium uredinicola Species NA Eukaryota UNPD*
NPO19057 Lentinellus omphalodes Species Auriscalpiaceae Eukaryota UNPD*
NPO16966 Leptospermum scoparium Species Myrtaceae Eukaryota UNPD*
NPO27847 Suillus granulatus Species Suillaceae Eukaryota UNPD*
NPO16927 Erodendrum neriifolium NA NA NA UNPD*
NPO18306 Juniperus thurifera Species Cupressaceae Eukaryota UNPD*
NPO19189 Brickellia pendula Species Asteraceae Eukaryota UNPD*
NPO12801 Aglaia meridionalis Species Meliaceae Eukaryota UNPD*
NPO18061 Anacystis cyanea NA NA NA UNPD*
NPO27604 Erythrina burttii Species Fabaceae Eukaryota UNPD*
NPO28174 Poterium sanguisorba Species Rosaceae Eukaryota UNPD*
NPO20443 Cratoxylum pruniflorum Species Hypericaceae Eukaryota UNPD*
NPO7090 Ammi majus Species Apiaceae Eukaryota UNPD*
NPO15358 Entandrophragma cylindricum Species Meliaceae Eukaryota UNPD*
NPO18792 Crotalaria lechnaultii Species Fabaceae Eukaryota UNPD*
NPO28124 Tamarix gallica Species Tamaricaceae Eukaryota UNPD*
NPO17596 Ficus maxima Species Moraceae Eukaryota UNPD*
NPO16293 Babylonia japonica Species Buccinidae Eukaryota UNPD*
NPO17068 Talaromyces wortmanni Species Trichocomaceae Eukaryota UNPD*
NPO17709 Timonius kaniensis Species Rubiaceae Eukaryota UNPD*
NPO12282 Parmelia conspersa Species Parmeliaceae Eukaryota UNPD*
NPO4266 Botryotrichum murorum Species Chaetomiaceae Eukaryota UNPD*
NPO9604 Amycolatopsis lurida Species Pseudonocardiaceae Bacteria UNPD*
NPO11603 Lathyrus macrorrhizus Species Fabaceae Eukaryota UNPD*
NPO5764 Ophioglossum vulgatum Species Ophioglossaceae Eukaryota UNPD*
NPO11677 Lactobacillus acidophilus Species Lactobacillaceae Bacteria UNPD*
NPO21302 Cladosporium herbarum Species Cladosporiaceae Eukaryota UNPD*
NPO7174 Callyspongia truncata Species Callyspongiidae Eukaryota UNPD*
NPO16653 Matteuccia struthiopteris Species Onocleaceae Eukaryota UNPD*
NPO28568 Hippeastrum aulicum Species Amaryllidaceae Eukaryota UNPD*
NPO17385 Magnolia acuminata Species Magnoliaceae Eukaryota UNPD*
NPO28061 Gyrothyra underwoodiana Species Gyrothyraceae Eukaryota UNPD*
NPO13594 Hippocratea indica Species Celastraceae Eukaryota UNPD*
NPO28256 Platycladus orientalis Species Cupressaceae Eukaryota TCM_Taiwan*
NPO28139 Umbilicaria pustulata Species Umbilicariaceae Eukaryota UNPD*
NPO28049 Piper callosum Species Piperaceae Eukaryota UNPD*
NPO28262 Marasmius graminum Species Marasmiaceae Eukaryota UNPD*
NPO28430 Biota orientalis NA NA NA Leaves PMID[21793559]
NPO17718 Artemisia schmidtiana Species Asteraceae Eukaryota UNPD*
NPO9535 Cortinarius basirubescens Species Cortinariaceae Eukaryota UNPD*
NPO18377 Chaetomium retardatum Species Chaetomiaceae Eukaryota UNPD*
NPO28555 Adina trichotoma Species Rubiaceae Eukaryota UNPD*
NPO17831 Millettia racemosa Species Fabaceae Eukaryota UNPD*
NPO28006 Pinus pumila Species Pinaceae Eukaryota UNPD*
NPO27532 Lamprolobium fruticosum Species Fabaceae Eukaryota UNPD*
NPO28074 Dianella revoluta Species Xanthorrhoeaceae Eukaryota UNPD*
NPO16983 Persea obovatifolia Species Lauraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 93300 nM 15104493
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 NPC91858 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
0.971 High Similarity NPC243342
0.971 High Similarity NPC477138
0.9571 High Similarity NPC291503
0.9565 High Similarity NPC182717
0.9429 High Similarity NPC471797
0.942 High Similarity NPC242001
0.9306 High Similarity NPC477924
0.9306 High Similarity NPC471798
0.9296 High Similarity NPC477923
0.9296 High Similarity NPC66566
0.9286 High Similarity NPC471799
0.9275 High Similarity NPC145498
0.9178 High Similarity NPC230295
0.9178 High Similarity NPC98386
0.9178 High Similarity NPC158662
0.9178 High Similarity NPC196753
0.9178 High Similarity NPC253807
0.9167 High Similarity NPC106432
0.9155 High Similarity NPC100334
0.9143 High Similarity NPC110799
0.9143 High Similarity NPC167706
0.9067 High Similarity NPC249423
0.9054 High Similarity NPC53744
0.9041 High Similarity NPC472805
0.9041 High Similarity NPC157996
0.9041 High Similarity NPC91594
0.9041 High Similarity NPC101475
0.9041 High Similarity NPC90979
0.9041 High Similarity NPC40394
0.9041 High Similarity NPC34177
0.9014 High Similarity NPC68443
0.8933 High Similarity NPC96362
0.8933 High Similarity NPC287749
0.8919 High Similarity NPC474989
0.8919 High Similarity NPC99168
0.8919 High Similarity NPC470396
0.8919 High Similarity NPC22955
0.8919 High Similarity NPC300499
0.8904 High Similarity NPC477925
0.8904 High Similarity NPC265328
0.8904 High Similarity NPC134330
0.8904 High Similarity NPC274079
0.8904 High Similarity NPC129165
0.8904 High Similarity NPC27765
0.8904 High Similarity NPC120098
0.8904 High Similarity NPC290598
0.8904 High Similarity NPC189883
0.8904 High Similarity NPC253190
0.8904 High Similarity NPC30590
0.8904 High Similarity NPC265588
0.8904 High Similarity NPC122418
0.8841 High Similarity NPC197805
0.8831 High Similarity NPC237795
0.8831 High Similarity NPC82538
0.8816 High Similarity NPC142163
0.8816 High Similarity NPC476646
0.8816 High Similarity NPC242350
0.88 High Similarity NPC291379
0.88 High Similarity NPC1319
0.8784 High Similarity NPC470711
0.8784 High Similarity NPC130136
0.8784 High Similarity NPC470758
0.8784 High Similarity NPC214570
0.8767 High Similarity NPC34700
0.8767 High Similarity NPC471723
0.8767 High Similarity NPC257347
0.8767 High Similarity NPC138374
0.8767 High Similarity NPC141071
0.8732 High Similarity NPC92801
0.8714 High Similarity NPC208999
0.8701 High Similarity NPC47763
0.8701 High Similarity NPC30166
0.8696 High Similarity NPC286669
0.8696 High Similarity NPC476039
0.8696 High Similarity NPC222366
0.8684 High Similarity NPC295131
0.8684 High Similarity NPC236112
0.8676 High Similarity NPC225415
0.8667 High Similarity NPC83351
0.8667 High Similarity NPC148977
0.8667 High Similarity NPC138621
0.8667 High Similarity NPC167891
0.8667 High Similarity NPC476314
0.8667 High Similarity NPC244385
0.8667 High Similarity NPC72507
0.8667 High Similarity NPC275910
0.8667 High Similarity NPC167037
0.8667 High Similarity NPC6978
0.8667 High Similarity NPC285761
0.8667 High Similarity NPC11908
0.8649 High Similarity NPC113733
0.8649 High Similarity NPC470749
0.8649 High Similarity NPC240604
0.8649 High Similarity NPC237460
0.8649 High Similarity NPC106364
0.8649 High Similarity NPC107059
0.8649 High Similarity NPC202642
0.8649 High Similarity NPC321381
0.8649 High Similarity NPC46160
0.8649 High Similarity NPC470362
0.8649 High Similarity NPC321016
0.8649 High Similarity NPC300324
0.8649 High Similarity NPC73875
0.863 High Similarity NPC306727
0.863 High Similarity NPC469593
0.863 High Similarity NPC469534
0.863 High Similarity NPC201048
0.863 High Similarity NPC476366
0.863 High Similarity NPC469533
0.8611 High Similarity NPC164022
0.8592 High Similarity NPC9942
0.8592 High Similarity NPC210323
0.859 High Similarity NPC253402
0.859 High Similarity NPC159168
0.8571 High Similarity NPC474531
0.8571 High Similarity NPC470383
0.8553 High Similarity NPC273410
0.8553 High Similarity NPC472463
0.8553 High Similarity NPC30986
0.8553 High Similarity NPC209430
0.8553 High Similarity NPC80530
0.8553 High Similarity NPC100906
0.8533 High Similarity NPC155986
0.8533 High Similarity NPC198968
0.8533 High Similarity NPC318495
0.8514 High Similarity NPC136188
0.8514 High Similarity NPC118508
0.8514 High Similarity NPC162742
0.8514 High Similarity NPC288035
0.8514 High Similarity NPC230301
0.8514 High Similarity NPC304309
0.8514 High Similarity NPC285893
0.8514 High Similarity NPC22105
0.8514 High Similarity NPC121744
0.8514 High Similarity NPC28657
0.8514 High Similarity NPC134847
0.8514 High Similarity NPC322353
0.8481 Intermediate Similarity NPC205845
0.8481 Intermediate Similarity NPC470077
0.8481 Intermediate Similarity NPC238992
0.8472 Intermediate Similarity NPC34834
0.8462 Intermediate Similarity NPC101462
0.8462 Intermediate Similarity NPC248886
0.8462 Intermediate Similarity NPC49964
0.8462 Intermediate Similarity NPC218616
0.8462 Intermediate Similarity NPC296701
0.8462 Intermediate Similarity NPC470049
0.8462 Intermediate Similarity NPC48362
0.8462 Intermediate Similarity NPC304285
0.8462 Intermediate Similarity NPC87489
0.8451 Intermediate Similarity NPC32055
0.8451 Intermediate Similarity NPC94192
0.8451 Intermediate Similarity NPC2648
0.8442 Intermediate Similarity NPC164840
0.8442 Intermediate Similarity NPC241290
0.8442 Intermediate Similarity NPC209944
0.8442 Intermediate Similarity NPC322313
0.8442 Intermediate Similarity NPC234193
0.8442 Intermediate Similarity NPC236237
0.8442 Intermediate Similarity NPC13554
0.8442 Intermediate Similarity NPC102253
0.8429 Intermediate Similarity NPC149680
0.8421 Intermediate Similarity NPC473943
0.8421 Intermediate Similarity NPC87604
0.8421 Intermediate Similarity NPC474216
0.8421 Intermediate Similarity NPC307965
0.8421 Intermediate Similarity NPC477522
0.8421 Intermediate Similarity NPC76931
0.8421 Intermediate Similarity NPC476949
0.8421 Intermediate Similarity NPC205455
0.8421 Intermediate Similarity NPC65897
0.8421 Intermediate Similarity NPC302041
0.8421 Intermediate Similarity NPC18603
0.8421 Intermediate Similarity NPC85346
0.8421 Intermediate Similarity NPC186191
0.8421 Intermediate Similarity NPC318136
0.8421 Intermediate Similarity NPC312328
0.8406 Intermediate Similarity NPC144650
0.8406 Intermediate Similarity NPC290367
0.84 Intermediate Similarity NPC96319
0.84 Intermediate Similarity NPC63958
0.8375 Intermediate Similarity NPC470360
0.8375 Intermediate Similarity NPC318390
0.8354 Intermediate Similarity NPC474789
0.8354 Intermediate Similarity NPC477818
0.8354 Intermediate Similarity NPC113978
0.8354 Intermediate Similarity NPC52108
0.8333 Intermediate Similarity NPC116202
0.8333 Intermediate Similarity NPC476431
0.8333 Intermediate Similarity NPC47761
0.8333 Intermediate Similarity NPC264245
0.8312 Intermediate Similarity NPC328714
0.8312 Intermediate Similarity NPC143182
0.8312 Intermediate Similarity NPC28862
0.8312 Intermediate Similarity NPC109546
0.8312 Intermediate Similarity NPC47982
0.8312 Intermediate Similarity NPC81306
0.8312 Intermediate Similarity NPC84694
0.831 Intermediate Similarity NPC69649
0.831 Intermediate Similarity NPC68703

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC91858 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
0.9054 High Similarity NPD7645 Phase 2
0.8514 High Similarity NPD7339 Approved
0.8514 High Similarity NPD6942 Approved
0.8442 Intermediate Similarity NPD7525 Registered
0.84 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.8026 Intermediate Similarity NPD8264 Approved
0.7895 Intermediate Similarity NPD6926 Approved
0.7895 Intermediate Similarity NPD6924 Approved
0.7867 Intermediate Similarity NPD7152 Approved
0.7867 Intermediate Similarity NPD7150 Approved
0.7867 Intermediate Similarity NPD7151 Approved
0.7831 Intermediate Similarity NPD3618 Phase 1
0.7805 Intermediate Similarity NPD4786 Approved
0.7791 Intermediate Similarity NPD6079 Approved
0.7778 Intermediate Similarity NPD3667 Approved
0.7765 Intermediate Similarity NPD5328 Approved
0.7733 Intermediate Similarity NPD7143 Approved
0.7733 Intermediate Similarity NPD7144 Approved
0.7692 Intermediate Similarity NPD6933 Approved
0.7662 Intermediate Similarity NPD4785 Approved
0.7662 Intermediate Similarity NPD4784 Approved
0.7632 Intermediate Similarity NPD4243 Approved
0.7625 Intermediate Similarity NPD6929 Approved
0.76 Intermediate Similarity NPD6922 Approved
0.76 Intermediate Similarity NPD6923 Approved
0.7595 Intermediate Similarity NPD6932 Approved
0.7586 Intermediate Similarity NPD7515 Phase 2
0.7531 Intermediate Similarity NPD7509 Discontinued
0.7531 Intermediate Similarity NPD6931 Approved
0.7531 Intermediate Similarity NPD6930 Phase 2
0.75 Intermediate Similarity NPD7145 Approved
0.7381 Intermediate Similarity NPD3666 Approved
0.7381 Intermediate Similarity NPD3133 Approved
0.7381 Intermediate Similarity NPD3665 Phase 1
0.7375 Intermediate Similarity NPD6925 Approved
0.7375 Intermediate Similarity NPD5776 Phase 2
0.7326 Intermediate Similarity NPD4751 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD7332 Phase 2
0.7317 Intermediate Similarity NPD4748 Discontinued
0.7317 Intermediate Similarity NPD7514 Phase 3
0.7303 Intermediate Similarity NPD4202 Approved
0.7284 Intermediate Similarity NPD7322 Clinical (unspecified phase)
0.7262 Intermediate Similarity NPD6695 Phase 3
0.7253 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7253 Intermediate Similarity NPD5221 Approved
0.7253 Intermediate Similarity NPD5222 Approved
0.7229 Intermediate Similarity NPD6902 Approved
0.7222 Intermediate Similarity NPD7748 Approved
0.7204 Intermediate Similarity NPD5285 Approved
0.7204 Intermediate Similarity NPD5286 Approved
0.7204 Intermediate Similarity NPD4696 Approved
0.7195 Intermediate Similarity NPD6683 Phase 2
0.7195 Intermediate Similarity NPD4195 Approved
0.7176 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD4755 Approved
0.7174 Intermediate Similarity NPD5173 Approved
0.7125 Intermediate Similarity NPD5275 Approved
0.7125 Intermediate Similarity NPD4190 Phase 3
0.7097 Intermediate Similarity NPD5290 Discontinued
0.7093 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7093 Intermediate Similarity NPD6893 Approved
0.7065 Intermediate Similarity NPD4697 Phase 3
0.7053 Intermediate Similarity NPD5225 Approved
0.7053 Intermediate Similarity NPD5226 Approved
0.7053 Intermediate Similarity NPD4633 Approved
0.7053 Intermediate Similarity NPD5224 Approved
0.7053 Intermediate Similarity NPD5211 Phase 2
0.7024 Intermediate Similarity NPD6898 Phase 1
0.7021 Intermediate Similarity NPD4700 Approved
0.7011 Intermediate Similarity NPD5279 Phase 3
0.7 Intermediate Similarity NPD6411 Approved
0.6989 Remote Similarity NPD7902 Approved
0.6979 Remote Similarity NPD5174 Approved
0.6979 Remote Similarity NPD5175 Approved
0.6977 Remote Similarity NPD3668 Phase 3
0.6966 Remote Similarity NPD4753 Phase 2
0.6947 Remote Similarity NPD5223 Approved
0.6932 Remote Similarity NPD7750 Discontinued
0.6932 Remote Similarity NPD7524 Approved
0.6923 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6923 Remote Similarity NPD6399 Phase 3
0.6915 Remote Similarity NPD7638 Approved
0.6907 Remote Similarity NPD5141 Approved
0.6905 Remote Similarity NPD4695 Discontinued
0.6892 Remote Similarity NPD368 Approved
0.6869 Remote Similarity NPD6899 Approved
0.6869 Remote Similarity NPD6881 Approved
0.6842 Remote Similarity NPD7639 Approved
0.6842 Remote Similarity NPD7640 Approved
0.6837 Remote Similarity NPD5739 Approved
0.6837 Remote Similarity NPD6675 Approved
0.6837 Remote Similarity NPD6402 Approved
0.6837 Remote Similarity NPD7128 Approved
0.6778 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6778 Remote Similarity NPD6101 Approved
0.6774 Remote Similarity NPD4629 Approved
0.6774 Remote Similarity NPD5210 Approved
0.6768 Remote Similarity NPD5697 Approved
0.6744 Remote Similarity NPD4221 Approved
0.6744 Remote Similarity NPD4223 Phase 3
0.6737 Remote Similarity NPD4225 Approved
0.6733 Remote Similarity NPD7102 Approved
0.6733 Remote Similarity NPD6883 Approved
0.6733 Remote Similarity NPD7290 Approved
0.6706 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6705 Remote Similarity NPD5329 Approved
0.67 Remote Similarity NPD4729 Approved
0.67 Remote Similarity NPD4730 Approved
0.67 Remote Similarity NPD7320 Approved
0.6667 Remote Similarity NPD7900 Approved
0.6667 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6869 Approved
0.6667 Remote Similarity NPD6649 Approved
0.6667 Remote Similarity NPD6847 Approved
0.6667 Remote Similarity NPD4768 Approved
0.6667 Remote Similarity NPD8130 Phase 1
0.6667 Remote Similarity NPD6650 Approved
0.6667 Remote Similarity NPD4767 Approved
0.6667 Remote Similarity NPD6617 Approved
0.6634 Remote Similarity NPD6013 Approved
0.6634 Remote Similarity NPD6014 Approved
0.6634 Remote Similarity NPD6012 Approved
0.6634 Remote Similarity NPD6373 Approved
0.6634 Remote Similarity NPD6372 Approved
0.6633 Remote Similarity NPD4754 Approved
0.6632 Remote Similarity NPD6083 Phase 2
0.6632 Remote Similarity NPD6084 Phase 2
0.663 Remote Similarity NPD7087 Discontinued
0.6629 Remote Similarity NPD7521 Approved
0.6629 Remote Similarity NPD7146 Approved
0.6629 Remote Similarity NPD4623 Approved
0.6629 Remote Similarity NPD4519 Discontinued
0.6629 Remote Similarity NPD7334 Approved
0.6629 Remote Similarity NPD6684 Approved
0.6629 Remote Similarity NPD5330 Approved
0.6629 Remote Similarity NPD6409 Approved
0.6629 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6602 Remote Similarity NPD6882 Approved
0.6602 Remote Similarity NPD8297 Approved
0.66 Remote Similarity NPD5701 Approved
0.6591 Remote Similarity NPD4197 Approved
0.6569 Remote Similarity NPD5247 Approved
0.6569 Remote Similarity NPD5249 Phase 3
0.6569 Remote Similarity NPD5248 Approved
0.6569 Remote Similarity NPD4634 Approved
0.6569 Remote Similarity NPD5250 Approved
0.6569 Remote Similarity NPD5251 Approved
0.6556 Remote Similarity NPD3573 Approved
0.6535 Remote Similarity NPD5128 Approved
0.6535 Remote Similarity NPD6011 Approved
0.6535 Remote Similarity NPD5168 Approved
0.6528 Remote Similarity NPD342 Phase 1
0.6522 Remote Similarity NPD7136 Phase 2
0.6505 Remote Similarity NPD5216 Approved
0.6505 Remote Similarity NPD5215 Approved
0.6505 Remote Similarity NPD5217 Approved
0.6484 Remote Similarity NPD6903 Approved
0.6484 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6477 Remote Similarity NPD4788 Approved
0.6471 Remote Similarity NPD3617 Approved
0.6452 Remote Similarity NPD8035 Phase 2
0.6452 Remote Similarity NPD7637 Suspended
0.6452 Remote Similarity NPD8034 Phase 2
0.6444 Remote Similarity NPD5690 Phase 2
0.6444 Remote Similarity NPD5205 Approved
0.6444 Remote Similarity NPD4138 Approved
0.6444 Remote Similarity NPD4690 Approved
0.6444 Remote Similarity NPD4688 Approved
0.6444 Remote Similarity NPD4689 Approved
0.6444 Remote Similarity NPD4693 Phase 3
0.6438 Remote Similarity NPD4219 Approved
0.6429 Remote Similarity NPD4159 Approved
0.642 Remote Similarity NPD4787 Phase 1
0.6413 Remote Similarity NPD6051 Approved
0.6408 Remote Similarity NPD5169 Approved
0.6408 Remote Similarity NPD5135 Approved
0.6408 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6383 Remote Similarity NPD5779 Approved
0.6383 Remote Similarity NPD5778 Approved
0.6355 Remote Similarity NPD7115 Discovery
0.6346 Remote Similarity NPD5127 Approved
0.6346 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6341 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6341 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6304 Remote Similarity NPD5737 Approved
0.6304 Remote Similarity NPD6672 Approved
0.6304 Remote Similarity NPD4723 Approved
0.6304 Remote Similarity NPD4722 Approved
0.6296 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6296 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6275 Remote Similarity NPD6412 Phase 2
0.6265 Remote Similarity NPD4732 Discontinued
0.6264 Remote Similarity NPD4694 Approved
0.6264 Remote Similarity NPD5280 Approved
0.6262 Remote Similarity NPD6868 Approved
0.625 Remote Similarity NPD5695 Phase 3
0.6239 Remote Similarity NPD7100 Approved
0.6239 Remote Similarity NPD7101 Approved
0.6237 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6235 Remote Similarity NPD6117 Approved

Structure

External Identifiers

PubChem CID   12313649
ChEMBL   CHEMBL463903
ZINC  

Physicochemical Properties

Molecular Weight:  304.24
ALogP:  0.9855
MLogP:  3.44
XLogP:  6.219
# Rotatable Bonds:  7
Polar Surface Area:  40.46
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  22

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Structure MOL file  
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Biological Activities  
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