Natural Product: NPC249078

Natural Product ID:  NPC249078
Common Name:   (1S,4R,5R,8S,9S)-Clovane-5,9-Diol
IUPAC Name:   (3S,3aS,6R,7R,9aS)-1,1,7-trimethyl-3,4,5,6,8,9,9a,10-octahydro-2H-tricyclo[6.3.1.0^{1,5}]dodecane-3,6-diol
Synonyms:  
Molecular Formula:   C15H26O2
Standard InCHIKey:  BWXJQHJHGMZLBT-OEMOEHNSSA-N
Standard InCHI:  InChI=1S/C15H26O2/c1-13(2)8-12(17)15-7-5-11(16)14(3,9-15)6-4-10(13)15/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12-,14+,15-/m0/s1
Canonical SMILES:  O[C@H]1CC([C@H]2[C@]31CC[C@H]([C@](C3)(C)CC2)O)(C)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
NPO22698 Achillea pannonica Species Asteraceae Eukaryota UNPD*
NPO20088 Piper sintenense Species Piperaceae Eukaryota UNPD*
NPO20967 Doriopsilla albopunctata Species Dendrodorididae Eukaryota UNPD*
NPO19891 Diospyros crassiflora Species Ebenaceae Eukaryota UNPD*
NPO21599 Ricciocarpos natans Species Ricciaceae Eukaryota UNPD*
NPO21221 Trapa bispinosa Species Lythraceae Eukaryota UNPD*
NPO22308 Stevia satureiaefolia Species Asteraceae Eukaryota UNPD*
NPO20457 Spirastrella inconstans Species Spirastrellidae Eukaryota UNPD*
NPO22887 Scutellaria violacea Species Lamiaceae Eukaryota UNPD*
NPO17911 Blepharisma japonicum Species Blepharismidae Eukaryota UNPD*
NPO21850 Paeonia delavayi Species Paeoniaceae Eukaryota UNPD*
NPO20522 Pyura sacciformis Species Pyuridae Eukaryota UNPD*
NPO20896 Mimosa tenuiflora Species Fabaceae Eukaryota UNPD*
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota TCMID*
NPO4230 Protoparmeliopsis peltata Species Lecanoraceae Eukaryota UNPD*
NPO22499 Corydalis flabellata Species Papaveraceae Eukaryota UNPD*
NPO21032 Manilkara hexandra Species Sapotaceae Eukaryota UNPD*
NPO19638 Scutellaria albida Species Lamiaceae Eukaryota UNPD*
NPO18435 Tylophora atrofolliculata Species Apocynaceae Eukaryota UNPD*
NPO28103 Erica carnea Species Ericaceae Eukaryota UNPD*
NPO8115 Polyopes affinis Species Halymeniaceae Eukaryota UNPD*
NPO4984 Salvia cana Species Lamiaceae Eukaryota UNPD*
NPO6696 Chukrasia tabularis Species Meliaceae Eukaryota TCMID*
NPO13414 Senecio fuertesii Species Asteraceae Eukaryota UNPD*
NPO18356 Stachys tuberifera Species Lamiaceae Eukaryota UNPD*
NPO17643 Penicillium pedemontanum Species Aspergillaceae Eukaryota UNPD*
NPO791 Laburnum anagyroides Species Fabaceae Eukaryota UNPD*
NPO20261 Teucrium trifidum Species Lamiaceae Eukaryota UNPD*
NPO27929 Aphanamixis polystachya Species Meliaceae Eukaryota UNPD*
NPO21343 Eupatorium fortunei Species Asteraceae Eukaryota UNPD*
NPO21413 Armillaria tabescens Species Physalacriaceae Eukaryota UNPD*
NPO14262 Eucalyptus polyanthemos Species Myrtaceae Eukaryota UNPD*
NPO20203 Syringa komarowi Species Oleaceae Eukaryota UNPD*
NPO19580 Chamaemelum fuscatum Species Asteraceae Eukaryota UNPD*
NPO27489 Alloascoidea hylecoeti Species Alloascoideaceae Eukaryota UNPD*
NPO22438 Asclepias speciosa Species Apocynaceae Eukaryota UNPD*
NPO20381 Echites hirsuta Species Apocynaceae Eukaryota UNPD*
NPO14240 Justicia ghiesbreghtiana Species Acanthaceae Eukaryota UNPD*
NPO21158 Viburnum fur Species Adoxaceae Eukaryota UNPD*
NPO18055 Isodon adenolomus Species Lamiaceae Eukaryota UNPD*
NPO17362 Alstonia yunnanensis Species Apocynaceae Eukaryota UNPD*
NPO23006 Moringa stenopetala Species Moringaceae Eukaryota UNPD*
NPO22048 Pteris palmiformis Species Pteridaceae Eukaryota UNPD*
NPO26325 Annulusmagnus triseptatus Species Annulatascaceae Eukaryota UNPD*
NPO15763 Huperzia lucidula Species Lycopodiaceae Eukaryota UNPD*
NPO21725 Uncaria glabrata Species Rubiaceae Eukaryota UNPD*
NPO1826 Teucrium barbeyanum Species Lamiaceae Eukaryota UNPD*
NPO19118 Hippeastrum vittatum Species Amaryllidaceae Eukaryota UNPD*
NPO19522 Arthropsis truncata Species NA Eukaryota UNPD*
NPO17119 Dalea versicolor Species Fabaceae Eukaryota UNPD*
NPO15497 Caria ino Species Riodinidae Eukaryota UNPD*
NPO13409 Crocus asturicus Species Iridaceae Eukaryota UNPD*
NPO22756 Epimedium versicolor Species Berberidaceae Eukaryota UNPD*
NPO20707 Stillingia sanguinolenta Species Euphorbiaceae Eukaryota UNPD*
NPO22953 Eupatorium pauciflorum Species Asteraceae Eukaryota UNPD*
NPO19777 Pholiota adiposa Species Strophariaceae Eukaryota UNPD*
NPO3291 Cynanchum auriculatum Species Apocynaceae Eukaryota UNPD*
NPO18123 Dichapetalum madagascariense Species Dichapetalaceae Eukaryota UNPD*
NPO16997 Talaromyces aculeatus Species Trichocomaceae Eukaryota UNPD*
NPO22820 Sarcophyton glaucum Species Alcyoniidae Eukaryota UNPD*
NPO10852 Felimare midatlantica Species Chromodorididae Eukaryota UNPD*
NPO20771 Thalictrum fortunei Species Ranunculaceae Eukaryota UNPD*
NPO2377 Cetraria ciliaris Species Parmeliaceae Eukaryota UNPD*
NPO12148.2 Acer pictum subsp. okamotoanum Subspecies Sapindaceae Eukaryota UNPD*
NPO20583 Phaulopsis imbricata Species Acanthaceae Eukaryota UNPD*
NPO19965 Helenium alternifolium Species Asteraceae Eukaryota UNPD*
NPO4048 Inga longispica Species Oecophoridae Eukaryota UNPD*
NPO19311 Dasymaschalon blumei Species Annonaceae Eukaryota UNPD*
NPO12807 Citrus aurantiifolia Species Rutaceae Eukaryota UNPD*
NPO20021 Physcia aegialita Species Physciaceae Eukaryota UNPD*
NPO13832 Aspilia hispida Species Asteraceae Eukaryota UNPD*
NPO15478 Senna sophera Species Fabaceae Eukaryota UNPD*
NPO22113 Anthocercis genistoides Species Solanaceae Eukaryota UNPD*
NPO13974 Hygrophorus pustulatus Species Hygrophoraceae Eukaryota UNPD*
NPO60 Neoshirakia japonica Species Euphorbiaceae Eukaryota UNPD*
NPO21089 Mourera fluviatilis Species Podostemaceae Eukaryota UNPD*
NPO4478 Parmelia pseudoreticulata Species Parmeliaceae Eukaryota UNPD*
NPO17783 Sideritis cystosiphon Species Lamiaceae Eukaryota UNPD*
NPO21654 Cyerce cristallina Species Caliphyllidae Eukaryota UNPD*
NPO16567 Doriopsilla areolata Species Dendrodorididae Eukaryota UNPD*
NPO26131 Cliona chilensis Species Clionaidae Eukaryota UNPD*
NPO18606 Achyrocline bogotensis Species Asteraceae Eukaryota UNPD*
NPO22372 Callicarpa bodinieri Species Lamiaceae Eukaryota UNPD*
NPO16990 Verbesina virgata Species Asteraceae Eukaryota UNPD*
NPO21278 Lysimachia clethroides Species Primulaceae Eukaryota UNPD*
NPO20835 Medicago truncatula Species Fabaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT67 Individual Protein Cholinesterase Equus caballus IC50 = 455800 nM 17067156

  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 NPC249078 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 NPC236099
1.0 High Similarity NPC209686
0.9206 High Similarity NPC474756
0.9062 High Similarity NPC477820
0.8923 High Similarity NPC232925
0.8923 High Similarity NPC63588
0.8923 High Similarity NPC251201
0.8657 High Similarity NPC470610
0.8657 High Similarity NPC153719
0.8594 High Similarity NPC44122
0.8571 High Similarity NPC159654
0.8571 High Similarity NPC167995
0.8571 High Similarity NPC281540
0.8571 High Similarity NPC118937
0.8529 High Similarity NPC48795
0.8529 High Similarity NPC475458
0.8529 High Similarity NPC304499
0.8485 Intermediate Similarity NPC129829
0.8485 Intermediate Similarity NPC66407
0.8485 Intermediate Similarity NPC254037
0.8413 Intermediate Similarity NPC114891
0.8406 Intermediate Similarity NPC317242
0.8358 Intermediate Similarity NPC192192
0.8333 Intermediate Similarity NPC3025
0.8308 Intermediate Similarity NPC142712
0.8286 Intermediate Similarity NPC163597
0.8254 Intermediate Similarity NPC71460
0.8254 Intermediate Similarity NPC95804
0.8254 Intermediate Similarity NPC185547
0.8254 Intermediate Similarity NPC218585
0.8254 Intermediate Similarity NPC148174
0.8235 Intermediate Similarity NPC1340
0.8235 Intermediate Similarity NPC252182
0.8235 Intermediate Similarity NPC187471
0.8235 Intermediate Similarity NPC127094
0.8235 Intermediate Similarity NPC470071
0.8197 Intermediate Similarity NPC29976
0.8197 Intermediate Similarity NPC150713
0.8182 Intermediate Similarity NPC473230
0.8182 Intermediate Similarity NPC48079
0.8182 Intermediate Similarity NPC475884
0.8182 Intermediate Similarity NPC63190
0.8169 Intermediate Similarity NPC128951
0.8169 Intermediate Similarity NPC185915
0.8169 Intermediate Similarity NPC302578
0.8169 Intermediate Similarity NPC105208
0.8169 Intermediate Similarity NPC192046
0.8169 Intermediate Similarity NPC477227
0.8169 Intermediate Similarity NPC476233
0.8154 Intermediate Similarity NPC243469
0.8154 Intermediate Similarity NPC474380
0.8154 Intermediate Similarity NPC41577
0.8154 Intermediate Similarity NPC473276
0.8154 Intermediate Similarity NPC475943
0.8154 Intermediate Similarity NPC190827
0.8065 Intermediate Similarity NPC476735
0.806 Intermediate Similarity NPC472741
0.8056 Intermediate Similarity NPC477817
0.8056 Intermediate Similarity NPC67657
0.8056 Intermediate Similarity NPC18857
0.8056 Intermediate Similarity NPC477819
0.8 Intermediate Similarity NPC228994
0.8 Intermediate Similarity NPC69149
0.8 Intermediate Similarity NPC192501
0.8 Intermediate Similarity NPC477508
0.8 Intermediate Similarity NPC10476
0.7945 Intermediate Similarity NPC287452
0.7945 Intermediate Similarity NPC269333
0.7941 Intermediate Similarity NPC241085
0.7941 Intermediate Similarity NPC107919
0.7941 Intermediate Similarity NPC299948
0.7941 Intermediate Similarity NPC470830
0.7903 Intermediate Similarity NPC236588
0.7903 Intermediate Similarity NPC135438
0.7887 Intermediate Similarity NPC231680
0.7887 Intermediate Similarity NPC243027
0.7887 Intermediate Similarity NPC196136
0.7887 Intermediate Similarity NPC91387
0.7887 Intermediate Similarity NPC270306
0.7887 Intermediate Similarity NPC158208
0.7879 Intermediate Similarity NPC472946
0.7869 Intermediate Similarity NPC277917
0.7869 Intermediate Similarity NPC89069
0.7869 Intermediate Similarity NPC283655
0.7869 Intermediate Similarity NPC178223
0.7869 Intermediate Similarity NPC166894
0.7838 Intermediate Similarity NPC78545
0.7838 Intermediate Similarity NPC71535
0.7833 Intermediate Similarity NPC36002
0.7833 Intermediate Similarity NPC102336
0.7826 Intermediate Similarity NPC231945
0.7826 Intermediate Similarity NPC282454
0.7808 Intermediate Similarity NPC472499
0.7808 Intermediate Similarity NPC471045
0.7808 Intermediate Similarity NPC472500
0.7778 Intermediate Similarity NPC477602
0.7778 Intermediate Similarity NPC470145
0.7778 Intermediate Similarity NPC473916
0.7778 Intermediate Similarity NPC477601
0.7746 Intermediate Similarity NPC472503
0.7746 Intermediate Similarity NPC308440
0.7733 Intermediate Similarity NPC469745
0.7714 Intermediate Similarity NPC157422
0.7714 Intermediate Similarity NPC100586
0.7714 Intermediate Similarity NPC195530
0.7714 Intermediate Similarity NPC157777
0.7714 Intermediate Similarity NPC473279
0.7714 Intermediate Similarity NPC131506
0.7714 Intermediate Similarity NPC478103
0.7714 Intermediate Similarity NPC109457
0.7705 Intermediate Similarity NPC53209
0.7705 Intermediate Similarity NPC202146
0.7705 Intermediate Similarity NPC32222
0.7703 Intermediate Similarity NPC24504
0.7703 Intermediate Similarity NPC476176
0.7703 Intermediate Similarity NPC476316
0.7681 Intermediate Similarity NPC324607
0.7681 Intermediate Similarity NPC321732
0.7671 Intermediate Similarity NPC474574
0.7671 Intermediate Similarity NPC133596
0.7671 Intermediate Similarity NPC202540
0.7671 Intermediate Similarity NPC11907
0.7671 Intermediate Similarity NPC64081
0.7656 Intermediate Similarity NPC475968
0.7656 Intermediate Similarity NPC95958
0.7647 Intermediate Similarity NPC253303
0.7647 Intermediate Similarity NPC269077
0.7639 Intermediate Similarity NPC131584
0.7639 Intermediate Similarity NPC139765
0.7639 Intermediate Similarity NPC103822
0.7639 Intermediate Similarity NPC186851
0.7639 Intermediate Similarity NPC159789
0.7632 Intermediate Similarity NPC296734
0.7632 Intermediate Similarity NPC470611
0.7632 Intermediate Similarity NPC475388
0.7612 Intermediate Similarity NPC300442
0.7606 Intermediate Similarity NPC473238
0.7606 Intermediate Similarity NPC232112
0.7606 Intermediate Similarity NPC472341
0.7606 Intermediate Similarity NPC310766
0.76 Intermediate Similarity NPC7479
0.76 Intermediate Similarity NPC474714
0.76 Intermediate Similarity NPC470609
0.76 Intermediate Similarity NPC26117
0.76 Intermediate Similarity NPC47149
0.76 Intermediate Similarity NPC248944
0.76 Intermediate Similarity NPC257296
0.7581 Intermediate Similarity NPC471269
0.7568 Intermediate Similarity NPC31828
0.7568 Intermediate Similarity NPC171426
0.7568 Intermediate Similarity NPC475
0.7568 Intermediate Similarity NPC471769
0.7568 Intermediate Similarity NPC34046
0.7568 Intermediate Similarity NPC472502
0.7568 Intermediate Similarity NPC324700
0.7568 Intermediate Similarity NPC147993
0.7568 Intermediate Similarity NPC42853
0.7568 Intermediate Similarity NPC80089
0.7568 Intermediate Similarity NPC224802
0.7536 Intermediate Similarity NPC469987
0.7532 Intermediate Similarity NPC477818
0.7532 Intermediate Similarity NPC193870
0.7532 Intermediate Similarity NPC232023
0.7532 Intermediate Similarity NPC141941
0.7532 Intermediate Similarity NPC110778
0.7532 Intermediate Similarity NPC478054
0.75 Intermediate Similarity NPC47663
0.75 Intermediate Similarity NPC478130
0.7467 Intermediate Similarity NPC477282
0.7467 Intermediate Similarity NPC49627
0.7467 Intermediate Similarity NPC1319
0.7467 Intermediate Similarity NPC80297
0.7467 Intermediate Similarity NPC116119
0.7467 Intermediate Similarity NPC201276
0.7467 Intermediate Similarity NPC475727
0.7467 Intermediate Similarity NPC329871
0.7467 Intermediate Similarity NPC49599
0.7467 Intermediate Similarity NPC80891
0.7467 Intermediate Similarity NPC472742
0.7467 Intermediate Similarity NPC220379
0.7467 Intermediate Similarity NPC81074
0.7465 Intermediate Similarity NPC151018
0.7465 Intermediate Similarity NPC127283
0.7465 Intermediate Similarity NPC320549
0.7465 Intermediate Similarity NPC58057
0.7465 Intermediate Similarity NPC156277
0.7465 Intermediate Similarity NPC89310
0.7465 Intermediate Similarity NPC111234
0.7465 Intermediate Similarity NPC8004
0.7463 Intermediate Similarity NPC94897
0.7436 Intermediate Similarity NPC209802
0.7436 Intermediate Similarity NPC124172
0.7436 Intermediate Similarity NPC255882
0.7436 Intermediate Similarity NPC475798
0.7436 Intermediate Similarity NPC127606
0.7432 Intermediate Similarity NPC138502
0.7432 Intermediate Similarity NPC212453
0.7432 Intermediate Similarity NPC307336
0.7432 Intermediate Similarity NPC260301
0.7429 Intermediate Similarity NPC99264

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC249078 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
0.8088 Intermediate Similarity NPD4787 Phase 1
0.7941 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.7681 Intermediate Similarity NPD3698 Phase 2
0.7639 Intermediate Similarity NPD3703 Phase 2
0.7612 Intermediate Similarity NPD3171 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD6928 Phase 2
0.7571 Intermediate Similarity NPD4245 Approved
0.7571 Intermediate Similarity NPD4244 Approved
0.7568 Intermediate Similarity NPD6118 Approved
0.7568 Intermediate Similarity NPD6114 Approved
0.7568 Intermediate Similarity NPD6115 Approved
0.7568 Intermediate Similarity NPD6697 Approved
0.7465 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7465 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7297 Intermediate Similarity NPD6117 Approved
0.7297 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.726 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD6116 Phase 1
0.7119 Intermediate Similarity NPD385 Approved
0.7119 Intermediate Similarity NPD384 Approved
0.7083 Intermediate Similarity NPD4789 Approved
0.7042 Intermediate Similarity NPD6705 Phase 1
0.6951 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6949 Remote Similarity NPD386 Approved
0.6949 Remote Similarity NPD388 Approved
0.6933 Remote Similarity NPD3702 Approved
0.6933 Remote Similarity NPD6942 Approved
0.6933 Remote Similarity NPD7339 Approved
0.6923 Remote Similarity NPD7525 Registered
0.6923 Remote Similarity NPD4748 Discontinued
0.6806 Remote Similarity NPD5360 Phase 3
0.6806 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6714 Remote Similarity NPD371 Approved
0.6667 Remote Similarity NPD3671 Phase 1
0.6582 Remote Similarity NPD6929 Approved
0.6579 Remote Similarity NPD6924 Approved
0.6579 Remote Similarity NPD6926 Approved
0.6552 Remote Similarity NPD8171 Discontinued
0.6533 Remote Similarity NPD4758 Discontinued
0.6533 Remote Similarity NPD4243 Approved
0.6533 Remote Similarity NPD5777 Approved
0.6528 Remote Similarity NPD4224 Phase 2
0.6512 Remote Similarity NPD6700 Approved
0.6512 Remote Similarity NPD6701 Clinical (unspecified phase)
0.6506 Remote Similarity NPD7520 Clinical (unspecified phase)
0.65 Remote Similarity NPD6930 Phase 2
0.65 Remote Similarity NPD6931 Approved
0.6463 Remote Similarity NPD4788 Approved
0.6437 Remote Similarity NPD6702 Approved
0.6437 Remote Similarity NPD6703 Approved
0.641 Remote Similarity NPD6933 Approved
0.6386 Remote Similarity NPD3666 Approved
0.6386 Remote Similarity NPD4786 Approved
0.6386 Remote Similarity NPD3665 Phase 1
0.6386 Remote Similarity NPD3133 Approved
0.6364 Remote Similarity NPD4785 Approved
0.6364 Remote Similarity NPD4202 Approved
0.6364 Remote Similarity NPD4784 Approved
0.6341 Remote Similarity NPD3667 Approved
0.6329 Remote Similarity NPD6925 Approved
0.6329 Remote Similarity NPD5776 Phase 2
0.6329 Remote Similarity NPD6932 Approved
0.6316 Remote Similarity NPD6081 Approved
0.6316 Remote Similarity NPD7151 Approved
0.6316 Remote Similarity NPD7150 Approved
0.6316 Remote Similarity NPD7152 Approved
0.6282 Remote Similarity NPD4190 Phase 3
0.6282 Remote Similarity NPD5275 Approved
0.6267 Remote Similarity NPD6922 Approved
0.6267 Remote Similarity NPD6923 Approved
0.6265 Remote Similarity NPD6695 Phase 3
0.625 Remote Similarity NPD7145 Approved
0.6235 Remote Similarity NPD3618 Phase 1
0.6222 Remote Similarity NPD7991 Discontinued
0.6207 Remote Similarity NPD5328 Approved
0.619 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6184 Remote Similarity NPD7144 Approved
0.6184 Remote Similarity NPD7143 Approved
0.6176 Remote Similarity NPD586 Phase 1
0.6173 Remote Similarity NPD4195 Approved
0.6173 Remote Similarity NPD6683 Phase 2
0.6173 Remote Similarity NPD7645 Phase 2
0.6143 Remote Similarity NPD3198 Approved
0.6118 Remote Similarity NPD6893 Approved
0.6098 Remote Similarity NPD7514 Phase 3
0.6087 Remote Similarity NPD4755 Approved
0.6067 Remote Similarity NPD6079 Approved
0.6049 Remote Similarity NPD5364 Discontinued
0.6047 Remote Similarity NPD8308 Discontinued
0.6024 Remote Similarity NPD6902 Approved
0.6023 Remote Similarity NPD4753 Phase 2
0.6022 Remote Similarity NPD7638 Approved
0.5977 Remote Similarity NPD7750 Discontinued
0.5977 Remote Similarity NPD7524 Approved
0.5957 Remote Similarity NPD7640 Approved
0.5957 Remote Similarity NPD5285 Approved
0.5957 Remote Similarity NPD4700 Approved
0.5957 Remote Similarity NPD5286 Approved
0.5957 Remote Similarity NPD4696 Approved
0.5957 Remote Similarity NPD8418 Phase 2
0.5957 Remote Similarity NPD7639 Approved
0.5952 Remote Similarity NPD4221 Approved
0.5952 Remote Similarity NPD4223 Phase 3
0.5949 Remote Similarity NPD1811 Approved
0.5949 Remote Similarity NPD1810 Approved
0.5904 Remote Similarity NPD7509 Discontinued
0.5904 Remote Similarity NPD7332 Phase 2
0.5895 Remote Similarity NPD5223 Approved
0.5889 Remote Similarity NPD8034 Phase 2
0.5889 Remote Similarity NPD8035 Phase 2
0.5876 Remote Similarity NPD8170 Clinical (unspecified phase)
0.5833 Remote Similarity NPD4139 Approved
0.5833 Remote Similarity NPD7632 Discontinued
0.5833 Remote Similarity NPD5226 Approved
0.5833 Remote Similarity NPD6898 Phase 1
0.5833 Remote Similarity NPD5225 Approved
0.5833 Remote Similarity NPD4692 Approved
0.5833 Remote Similarity NPD5224 Approved
0.5833 Remote Similarity NPD5211 Phase 2
0.5833 Remote Similarity NPD4633 Approved
0.5814 Remote Similarity NPD4197 Approved
0.5806 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5806 Remote Similarity NPD5221 Approved
0.5806 Remote Similarity NPD5222 Approved
0.5806 Remote Similarity NPD4697 Phase 3
0.5773 Remote Similarity NPD5174 Approved
0.5773 Remote Similarity NPD4754 Approved
0.5773 Remote Similarity NPD5175 Approved
0.5747 Remote Similarity NPD5329 Approved
0.5745 Remote Similarity NPD5173 Approved
0.5745 Remote Similarity NPD7920 Phase 3
0.5745 Remote Similarity NPD7919 Phase 3
0.5743 Remote Similarity NPD4634 Approved
0.5729 Remote Similarity NPD4159 Approved
0.5729 Remote Similarity NPD1700 Approved
0.5714 Remote Similarity NPD5141 Approved
0.5714 Remote Similarity NPD7087 Discontinued
0.5699 Remote Similarity NPD4629 Approved
0.5699 Remote Similarity NPD5210 Approved
0.5684 Remote Similarity NPD8088 Phase 1
0.5682 Remote Similarity NPD4693 Phase 3
0.5682 Remote Similarity NPD4690 Approved
0.5682 Remote Similarity NPD5279 Phase 3
0.5682 Remote Similarity NPD4688 Approved
0.5682 Remote Similarity NPD5205 Approved
0.5682 Remote Similarity NPD4689 Approved
0.5682 Remote Similarity NPD4138 Approved
0.5663 Remote Similarity NPD3617 Approved
0.5663 Remote Similarity NPD7322 Clinical (unspecified phase)
0.5657 Remote Similarity NPD7128 Approved
0.5657 Remote Similarity NPD4767 Approved
0.5657 Remote Similarity NPD6675 Approved
0.5657 Remote Similarity NPD5739 Approved
0.5657 Remote Similarity NPD4768 Approved
0.5657 Remote Similarity NPD6402 Approved
0.5652 Remote Similarity NPD6399 Phase 3
0.5632 Remote Similarity NPD3668 Phase 3
0.56 Remote Similarity NPD5697 Approved
0.56 Remote Similarity NPD5701 Approved

Structure

External Identifiers

PubChem CID   15599878
ChEMBL   CHEMBL465622
ZINC  

Physicochemical Properties

Molecular Weight:  238.19
ALogP:  0.2753
MLogP:  2.89
XLogP:  3.13
# Rotatable Bonds:  5
Polar Surface Area:  40.46
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  17

Download Data

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