Natural Product: NPC111845

Natural Product ID:  NPC111845
Common Name:   Demethylcryptojaponol
IUPAC Name:   (4aS,10aS)-5,6-dihydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
Synonyms:  
Molecular Formula:   C20H28O3
Standard InCHIKey:  GDLRDIDXYBIPFY-YWZLYKJASA-N
Standard InCHI:  InChI=1S/C20H28O3/c1-11(2)12-9-13-14(21)10-15-19(3,4)7-6-8-20(15,5)16(13)18(23)17(12)22/h9,11,15,22-23H,6-8,10H2,1-5H3/t15-,20-/m0/s1
Canonical SMILES:  O=C1C[C@H]2C(C)(C)CCC[C@@]2(c2c1cc(C(C)C)c(c2O)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
NPO18892 Salvinia molesta Species Salviniaceae Eukaryota Whole Plants East Texas, USA 2009-2011 PMID[24210499]
NPO3291 Cynanchum auriculatum Species Apocynaceae Eukaryota UNPD*
NPO12091 Martensia denticulata Species Delesseriaceae Eukaryota UNPD*
NPO22691 Mentha cardiaca Species Lamiaceae Eukaryota UNPD*
NPO16567 Doriopsilla areolata Species Dendrodorididae Eukaryota UNPD*
NPO13135 Campylotropis hirtella Species Fabaceae Eukaryota UNPD*
NPO13832 Aspilia hispida Species Asteraceae Eukaryota UNPD*
NPO12205 Eucalyptus apodophylla Species Myrtaceae Eukaryota UNPD*
NPO9532 Vernonia cistifolia Species Asteraceae Eukaryota UNPD*
NPO18356 Stachys tuberifera Species Lamiaceae Eukaryota UNPD*
NPO7773 Crinum moorei Species Amaryllidaceae Eukaryota UNPD*
NPO5043 Eria japonica Species Orchidaceae Eukaryota UNPD*
NPO1257 Distephanus angulifolius Species Asteraceae Eukaryota UNPD*
NPO17119 Dalea versicolor Species Fabaceae Eukaryota UNPD*
NPO21720 Talaromyces variabilis Species Trichocomaceae Eukaryota UNPD*
NPO6731 Ononis spinosa Species Fabaceae Eukaryota UNPD*
NPO13414 Senecio fuertesii Species Asteraceae Eukaryota UNPD*
NPO18606 Achyrocline bogotensis Species Asteraceae Eukaryota UNPD*
NPO19580 Chamaemelum fuscatum Species Asteraceae Eukaryota UNPD*
NPO6289 Ceropegia dichotoma Species Apocynaceae Eukaryota UNPD*
NPO3873 Crotalaria candicans Species Fabaceae Eukaryota UNPD*
NPO5456 Juniperus drupacea Species Cupressaceae Eukaryota UNPD*
NPO17911 Blepharisma japonicum Species Blepharismidae Eukaryota UNPD*
NPO19311 Dasymaschalon blumei Species Annonaceae Eukaryota UNPD*
NPO9704 Sonneratia caseolaris Species Lythraceae Eukaryota UNPD*
NPO1397 Cylindrocarpon lucidum Species Nectriaceae Eukaryota UNPD*
NPO8934 Gypsophila perfoliata Species Caryophyllaceae Eukaryota UNPD*
NPO10638 Plectranthus myrianthus Species Lamiaceae Eukaryota UNPD*
NPO18435 Tylophora atrofolliculata Species Apocynaceae Eukaryota UNPD*
NPO17783 Sideritis cystosiphon Species Lamiaceae Eukaryota UNPD*
NPO19522 Arthropsis truncata Species NA Eukaryota UNPD*
NPO1815 Breonia chinensis Species Rubiaceae Eukaryota UNPD*
NPO1809 Delphinium scabriflorum Species Ranunculaceae Eukaryota UNPD*
NPO12565 Hypericum polyanthemum Species Hypericaceae Eukaryota UNPD*
NPO12148.2 Acer pictum subsp. okamotoanum Subspecies Sapindaceae Eukaryota UNPD*
NPO11190 Veronica polita Species Plantaginaceae Eukaryota UNPD*
NPO4984 Salvia cana Species Lamiaceae Eukaryota UNPD*
NPO865 Dendrobium loddigesii Species Orchidaceae Eukaryota UNPD*
NPO16997 Talaromyces aculeatus Species Trichocomaceae Eukaryota UNPD*
NPO10852 Felimare midatlantica Species Chromodorididae Eukaryota UNPD*
NPO7822.1 Eucalyptus globulus subsp. bicostata Subspecies Myrtaceae Eukaryota UNPD*
NPO10605 Tristania conferta Species Myrtaceae Eukaryota UNPD*
NPO11576 Glycosmis macrophylla Species Rutaceae Eukaryota UNPD*
NPO4230 Protoparmeliopsis peltata Species Lecanoraceae Eukaryota UNPD*
NPO13465 Salvia broussonetii Species Lamiaceae Eukaryota roots PMID[15969497]
NPO15497 Caria ino Species Riodinidae Eukaryota UNPD*
NPO2377 Cetraria ciliaris Species Parmeliaceae Eukaryota UNPD*
NPO19777 Pholiota adiposa Species Strophariaceae Eukaryota UNPD*
NPO17762 Crossopetalum gaumeri Species Celastraceae Eukaryota Roots Yucatan Peninsula PMID[24709561]
NPO12796 Periploca sepium Species Apocynaceae Eukaryota UNPD*
NPO33568 Caryopteris mongolica Species Lamiaceae Eukaryota Roots PMID[25958242]
NPO16990 Verbesina virgata Species Asteraceae Eukaryota UNPD*
NPO19638 Scutellaria albida Species Lamiaceae Eukaryota UNPD*
NPO526 Salvia sessei Species Lamiaceae Eukaryota UNPD*
NPO10922 Pentaclethra macrophylla Species Fabaceae Eukaryota UNPD*
NPO17643 Penicillium pedemontanum Species Aspergillaceae Eukaryota UNPD*
NPO23384 Rhodiola semenovii Species Crassulaceae Eukaryota UNPD*
NPO17362 Alstonia yunnanensis Species Apocynaceae Eukaryota UNPD*
NPO9319 Pterocaulon virgatum Species Asteraceae Eukaryota UNPD*
NPO11843 Stephania zippeliana Species Menispermaceae Eukaryota UNPD*
NPO18055 Isodon adenolomus Species Lamiaceae Eukaryota UNPD*
NPO9555 Aplysilla tango Species Darwinellidae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1161 Cell Line CHO Cricetulus griseus LD50 = 36.03 ug/ml 15969497
NPT776 Organism Spodoptera littoralis Spodoptera littoralis LD50 = 0.64 ug/ml 15969497
NPT776 Organism Spodoptera littoralis Spodoptera littoralis Activity = 105 % 15969497
NPT776 Organism Spodoptera littoralis Spodoptera littoralis Activity = 103 % 15969497
NPT1275 Organism Leptinotarsa decemlineata Leptinotarsa decemlineata EC50 > 100 microg/cm2 15969497
NPT171 Cell Line MRC5 Homo sapiens GI50 = 40190 nM 24210499
NPT2 Others Unspecified GI50 = 45010 nM 24210499
NPT2 Others Unspecified GI50 = 43140 nM 24210499
NPT116 Cell Line HL-60 Homo sapiens GI50 = 35260 nM 24210499
NPT306 Cell Line PC-3 Homo sapiens GI50 = 41030 nM 24210499
NPT81 Cell Line A549 Homo sapiens GI50 = 35040 nM 24210499
NPT165 Cell Line HeLa Homo sapiens IC50 = 39600 nM 24709561
NPT165 Cell Line HeLa Homo sapiens IC50 = 41100 nM 24709561
NPT2 Others Unspecified IC50 = 49400 nM 24709561
NPT2 Others Unspecified IC50 = 46200 nM 24709561
NPT189 Cell Line Vero Chlorocebus aethiops IC50 = 47500 nM 24709561
NPT2 Others Unspecified Ratio IC50 = 1.2 24709561
NPT2 Others Unspecified Ratio IC50 = 1 24709561
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 4 ug/ml 25440884
NPT1605 Organism Enterococcus Enterococcus MIC = 4 ug/ml 25440884
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 11.8 mm 25958242
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis IZ = 16 mm 25958242
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis IZ = 13.7 mm 25958242
NPT175 Organism Enterococcus faecalis Enterococcus faecalis IZ = 11.3 mm 25958242
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 15.8 mm 25958242
NPT729 Organism Micrococcus luteus Micrococcus luteus IZ = 9 mm 25958242
NPT729 Organism Micrococcus luteus Micrococcus luteus IZ = 13.5 mm 25958242
NPT175 Organism Enterococcus faecalis Enterococcus faecalis IZ = 15.2 mm 25958242

  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 NPC111845 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
0.9843 High Similarity NPC138472
0.969 High Similarity NPC153088
0.9474 High Similarity NPC471853
0.947 High Similarity NPC230811
0.937 High Similarity NPC84672
0.937 High Similarity NPC78364
0.937 High Similarity NPC176130
0.937 High Similarity NPC69424
0.9333 High Similarity NPC248068
0.9302 High Similarity NPC108129
0.9248 High Similarity NPC277559
0.9248 High Similarity NPC49911
0.9231 High Similarity NPC291001
0.9219 High Similarity NPC72667
0.9197 High Similarity NPC309169
0.9197 High Similarity NPC196941
0.9141 High Similarity NPC254492
0.9098 High Similarity NPC258502
0.9084 High Similarity NPC471851
0.9077 High Similarity NPC303910
0.9077 High Similarity NPC171460
0.9077 High Similarity NPC276238
0.9044 High Similarity NPC476534
0.9023 High Similarity NPC293454
0.9023 High Similarity NPC202225
0.9 High Similarity NPC52692
0.8984 High Similarity NPC199273
0.8947 High Similarity NPC78307
0.8947 High Similarity NPC477139
0.8947 High Similarity NPC4170
0.8913 High Similarity NPC184935
0.8897 High Similarity NPC469680
0.8897 High Similarity NPC416
0.8897 High Similarity NPC471974
0.8897 High Similarity NPC61398
0.8897 High Similarity NPC469681
0.8889 High Similarity NPC7464
0.8855 High Similarity NPC234175
0.8855 High Similarity NPC3009
0.8855 High Similarity NPC96024
0.8828 High Similarity NPC282577
0.8824 High Similarity NPC475957
0.8806 High Similarity NPC294226
0.8768 High Similarity NPC470035
0.8759 High Similarity NPC91887
0.8759 High Similarity NPC245760
0.8759 High Similarity NPC23667
0.8759 High Similarity NPC114333
0.8759 High Similarity NPC297797
0.8759 High Similarity NPC473779
0.8759 High Similarity NPC42384
0.8759 High Similarity NPC157284
0.8759 High Similarity NPC50615
0.8759 High Similarity NPC289358
0.8759 High Similarity NPC28592
0.8759 High Similarity NPC469857
0.8759 High Similarity NPC51531
0.8759 High Similarity NPC473479
0.8759 High Similarity NPC165191
0.8759 High Similarity NPC149773
0.8759 High Similarity NPC46242
0.8759 High Similarity NPC477849
0.8759 High Similarity NPC5014
0.875 High Similarity NPC154696
0.8723 High Similarity NPC75295
0.8723 High Similarity NPC470038
0.8696 High Similarity NPC294330
0.8692 High Similarity NPC15127
0.8633 High Similarity NPC473527
0.8626 High Similarity NPC123506
0.8626 High Similarity NPC137750
0.8601 High Similarity NPC10842
0.8592 High Similarity NPC258856
0.8592 High Similarity NPC225351
0.8582 High Similarity NPC199936
0.8582 High Similarity NPC117609
0.8571 High Similarity NPC92079
0.855 High Similarity NPC181334
0.8538 High Similarity NPC176208
0.8527 High Similarity NPC32322
0.8527 High Similarity NPC259703
0.8511 High Similarity NPC469855
0.8511 High Similarity NPC471971
0.8511 High Similarity NPC169214
0.8511 High Similarity NPC229218
0.8511 High Similarity NPC30846
0.8511 High Similarity NPC141817
0.8511 High Similarity NPC192597
0.8511 High Similarity NPC471972
0.8511 High Similarity NPC176030
0.8483 Intermediate Similarity NPC142654
0.8473 Intermediate Similarity NPC275145
0.8473 Intermediate Similarity NPC471187
0.8462 Intermediate Similarity NPC249340
0.8462 Intermediate Similarity NPC162935
0.8462 Intermediate Similarity NPC120545
0.8433 Intermediate Similarity NPC48248
0.8433 Intermediate Similarity NPC229894
0.8425 Intermediate Similarity NPC470037
0.8417 Intermediate Similarity NPC264022
0.8417 Intermediate Similarity NPC147418
0.8417 Intermediate Similarity NPC36868
0.8409 Intermediate Similarity NPC142956
0.8397 Intermediate Similarity NPC11250
0.8397 Intermediate Similarity NPC91478
0.8392 Intermediate Similarity NPC8493
0.8392 Intermediate Similarity NPC294679
0.8392 Intermediate Similarity NPC145301
0.8392 Intermediate Similarity NPC469854
0.8392 Intermediate Similarity NPC126707
0.8392 Intermediate Similarity NPC469375
0.8392 Intermediate Similarity NPC469856
0.8392 Intermediate Similarity NPC144247
0.8382 Intermediate Similarity NPC164295
0.8382 Intermediate Similarity NPC476847
0.8382 Intermediate Similarity NPC18798
0.8382 Intermediate Similarity NPC243305
0.8382 Intermediate Similarity NPC93015
0.838 Intermediate Similarity NPC11314
0.837 Intermediate Similarity NPC117899
0.8369 Intermediate Similarity NPC203063
0.8369 Intermediate Similarity NPC169452
0.8369 Intermediate Similarity NPC181560
0.8367 Intermediate Similarity NPC124842
0.8359 Intermediate Similarity NPC150919
0.8359 Intermediate Similarity NPC16030
0.8358 Intermediate Similarity NPC324209
0.8358 Intermediate Similarity NPC19432
0.8357 Intermediate Similarity NPC206207
0.8357 Intermediate Similarity NPC141368
0.8345 Intermediate Similarity NPC471670
0.8345 Intermediate Similarity NPC472308
0.8345 Intermediate Similarity NPC474311
0.8333 Intermediate Similarity NPC68441
0.8333 Intermediate Similarity NPC273683
0.8333 Intermediate Similarity NPC317869
0.8333 Intermediate Similarity NPC50924
0.8322 Intermediate Similarity NPC100242
0.8311 Intermediate Similarity NPC164912
0.8299 Intermediate Similarity NPC48949
0.8298 Intermediate Similarity NPC138099
0.8298 Intermediate Similarity NPC242994
0.8296 Intermediate Similarity NPC193203
0.8286 Intermediate Similarity NPC53001
0.8286 Intermediate Similarity NPC290030
0.8286 Intermediate Similarity NPC471905
0.8284 Intermediate Similarity NPC15837
0.8284 Intermediate Similarity NPC71610
0.8276 Intermediate Similarity NPC191899
0.8276 Intermediate Similarity NPC273798
0.8276 Intermediate Similarity NPC58752
0.8276 Intermediate Similarity NPC246229
0.8276 Intermediate Similarity NPC471970
0.8276 Intermediate Similarity NPC474991
0.8276 Intermediate Similarity NPC476535
0.8273 Intermediate Similarity NPC477596
0.8273 Intermediate Similarity NPC103082
0.8273 Intermediate Similarity NPC43353
0.8273 Intermediate Similarity NPC283088
0.8273 Intermediate Similarity NPC80035
0.8261 Intermediate Similarity NPC225051
0.8261 Intermediate Similarity NPC114183
0.8261 Intermediate Similarity NPC52407
0.8261 Intermediate Similarity NPC115458
0.8261 Intermediate Similarity NPC474715
0.8261 Intermediate Similarity NPC476282
0.8255 Intermediate Similarity NPC62051
0.8254 Intermediate Similarity NPC471179
0.8252 Intermediate Similarity NPC193555
0.8252 Intermediate Similarity NPC308572
0.8248 Intermediate Similarity NPC17083
0.8248 Intermediate Similarity NPC239134
0.8244 Intermediate Similarity NPC241001
0.8244 Intermediate Similarity NPC190971
0.8243 Intermediate Similarity NPC473201
0.8243 Intermediate Similarity NPC302783
0.8243 Intermediate Similarity NPC118427
0.8243 Intermediate Similarity NPC35
0.8243 Intermediate Similarity NPC306011
0.8243 Intermediate Similarity NPC472838
0.8243 Intermediate Similarity NPC144283
0.8235 Intermediate Similarity NPC99731
0.8227 Intermediate Similarity NPC87723
0.8227 Intermediate Similarity NPC123714
0.8227 Intermediate Similarity NPC4214
0.8227 Intermediate Similarity NPC13715
0.8219 Intermediate Similarity NPC5568
0.8219 Intermediate Similarity NPC470757
0.8214 Intermediate Similarity NPC65005
0.8214 Intermediate Similarity NPC194764
0.8214 Intermediate Similarity NPC191976
0.8214 Intermediate Similarity NPC254847
0.8214 Intermediate Similarity NPC264112
0.8209 Intermediate Similarity NPC87985
0.8207 Intermediate Similarity NPC160777
0.8207 Intermediate Similarity NPC84786
0.8207 Intermediate Similarity NPC73416
0.8201 Intermediate Similarity NPC12070
0.8201 Intermediate Similarity NPC477594
0.8201 Intermediate Similarity NPC270899

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC111845 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
0.8333 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.8231 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.8214 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.8168 Intermediate Similarity NPD3019 Approved
0.803 Intermediate Similarity NPD2932 Approved
0.7941 Intermediate Similarity NPD1470 Approved
0.7931 Intermediate Similarity NPD8166 Discontinued
0.7929 Intermediate Similarity NPD943 Approved
0.791 Intermediate Similarity NPD1201 Approved
0.7778 Intermediate Similarity NPD5408 Approved
0.7778 Intermediate Similarity NPD5404 Approved
0.7778 Intermediate Similarity NPD5406 Approved
0.7778 Intermediate Similarity NPD5405 Approved
0.777 Intermediate Similarity NPD7390 Discontinued
0.771 Intermediate Similarity NPD5951 Approved
0.7708 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7687 Intermediate Similarity NPD7003 Approved
0.7594 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7574 Intermediate Similarity NPD3026 Approved
0.7574 Intermediate Similarity NPD3023 Approved
0.7556 Intermediate Similarity NPD3024 Approved
0.7556 Intermediate Similarity NPD3025 Approved
0.7516 Intermediate Similarity NPD7473 Discontinued
0.7516 Intermediate Similarity NPD7458 Discontinued
0.7467 Intermediate Similarity NPD3300 Phase 2
0.7462 Intermediate Similarity NPD3022 Approved
0.7462 Intermediate Similarity NPD3021 Approved
0.7438 Intermediate Similarity NPD6232 Discontinued
0.7372 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD2346 Discontinued
0.7361 Intermediate Similarity NPD6663 Approved
0.7347 Intermediate Similarity NPD3299 Clinical (unspecified phase)
0.7338 Intermediate Similarity NPD9269 Phase 2
0.7338 Intermediate Similarity NPD3972 Approved
0.7325 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7324 Intermediate Similarity NPD9494 Approved
0.7324 Intermediate Similarity NPD5736 Approved
0.7308 Intermediate Similarity NPD2342 Discontinued
0.7293 Intermediate Similarity NPD7635 Approved
0.7266 Intermediate Similarity NPD3092 Approved
0.7246 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7226 Intermediate Similarity NPD3091 Approved
0.7192 Intermediate Similarity NPD3620 Phase 2
0.7192 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7183 Intermediate Similarity NPD1164 Approved
0.7181 Intermediate Similarity NPD6099 Approved
0.7181 Intermediate Similarity NPD6100 Approved
0.7179 Intermediate Similarity NPD3226 Approved
0.7172 Intermediate Similarity NPD3764 Approved
0.7143 Intermediate Similarity NPD230 Phase 1
0.7125 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7122 Intermediate Similarity NPD4059 Approved
0.7114 Intermediate Similarity NPD2799 Discontinued
0.7113 Intermediate Similarity NPD1283 Approved
0.7108 Intermediate Similarity NPD5844 Phase 1
0.7107 Intermediate Similarity NPD2801 Approved
0.7105 Intermediate Similarity NPD4628 Phase 3
0.7103 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD6273 Approved
0.7093 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7092 Intermediate Similarity NPD4878 Approved
0.7078 Intermediate Similarity NPD1511 Approved
0.7067 Intermediate Similarity NPD2935 Discontinued
0.7063 Intermediate Similarity NPD1809 Phase 2
0.7063 Intermediate Similarity NPD3094 Phase 2
0.705 Intermediate Similarity NPD9268 Approved
0.705 Intermediate Similarity NPD1651 Approved
0.7044 Intermediate Similarity NPD1934 Approved
0.7042 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7032 Intermediate Similarity NPD2533 Approved
0.7032 Intermediate Similarity NPD2532 Approved
0.7032 Intermediate Similarity NPD2534 Approved
0.7029 Intermediate Similarity NPD7610 Discontinued
0.702 Intermediate Similarity NPD2344 Approved
0.7019 Intermediate Similarity NPD3882 Suspended
0.7015 Intermediate Similarity NPD4141 Clinical (unspecified phase)
0.7014 Intermediate Similarity NPD2798 Approved
0.7 Intermediate Similarity NPD3534 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD4626 Approved
0.7 Intermediate Similarity NPD1465 Phase 2
0.6992 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6987 Remote Similarity NPD1512 Approved
0.6986 Remote Similarity NPD7008 Discontinued
0.698 Remote Similarity NPD1607 Approved
0.6962 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6951 Remote Similarity NPD6959 Discontinued
0.6948 Remote Similarity NPD6190 Approved
0.6923 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6923 Remote Similarity NPD1755 Approved
0.6917 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6901 Remote Similarity NPD1281 Approved
0.6899 Remote Similarity NPD3020 Approved
0.6894 Remote Similarity NPD7819 Suspended
0.6892 Remote Similarity NPD8032 Phase 2
0.6883 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6879 Remote Similarity NPD3095 Discontinued
0.6879 Remote Similarity NPD8150 Discontinued
0.6875 Remote Similarity NPD288 Approved
0.6875 Remote Similarity NPD3495 Discontinued
0.6875 Remote Similarity NPD1876 Approved
0.687 Remote Similarity NPD1929 Approved
0.687 Remote Similarity NPD1931 Clinical (unspecified phase)
0.687 Remote Similarity NPD1930 Approved
0.6863 Remote Similarity NPD970 Clinical (unspecified phase)
0.6852 Remote Similarity NPD8438 Clinical (unspecified phase)
0.6849 Remote Similarity NPD4208 Discontinued
0.6846 Remote Similarity NPD1240 Approved
0.6839 Remote Similarity NPD2309 Approved
0.6839 Remote Similarity NPD7910 Clinical (unspecified phase)
0.6838 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6829 Remote Similarity NPD6234 Discontinued
0.6826 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6826 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6826 Remote Similarity NPD6166 Phase 2
0.6824 Remote Similarity NPD2313 Discontinued
0.6821 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6818 Remote Similarity NPD2800 Approved
0.6815 Remote Similarity NPD4750 Phase 3
0.6815 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6813 Remote Similarity NPD7028 Phase 2
0.6813 Remote Similarity NPD4380 Phase 2
0.6797 Remote Similarity NPD844 Approved
0.6788 Remote Similarity NPD5494 Approved
0.6776 Remote Similarity NPD1510 Phase 2
0.6774 Remote Similarity NPD3750 Approved
0.6772 Remote Similarity NPD845 Approved
0.6769 Remote Similarity NPD2066 Phase 3
0.6761 Remote Similarity NPD2286 Discontinued
0.6755 Remote Similarity NPD4097 Suspended
0.6755 Remote Similarity NPD6651 Approved
0.6752 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6748 Remote Similarity NPD5977 Approved
0.6748 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6748 Remote Similarity NPD5978 Approved
0.6746 Remote Similarity NPD3818 Discontinued
0.6738 Remote Similarity NPD9545 Approved
0.6733 Remote Similarity NPD4060 Phase 1
0.6728 Remote Similarity NPD37 Approved
0.6725 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6719 Remote Similarity NPD1432 Clinical (unspecified phase)
0.6718 Remote Similarity NPD289 Clinical (unspecified phase)
0.6708 Remote Similarity NPD6599 Discontinued
0.6691 Remote Similarity NPD2629 Approved
0.669 Remote Similarity NPD4093 Discontinued
0.669 Remote Similarity NPD3600 Clinical (unspecified phase)
0.669 Remote Similarity NPD5691 Approved
0.6688 Remote Similarity NPD7236 Approved
0.6688 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2859 Approved
0.6667 Remote Similarity NPD2860 Approved
0.6667 Remote Similarity NPD258 Approved
0.6667 Remote Similarity NPD7075 Discontinued
0.6667 Remote Similarity NPD257 Approved
0.6647 Remote Similarity NPD8127 Discontinued
0.6646 Remote Similarity NPD3455 Phase 2
0.6646 Remote Similarity NPD2420 Approved
0.6646 Remote Similarity NPD2421 Approved
0.6643 Remote Similarity NPD1751 Approved
0.6629 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6625 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6623 Remote Similarity NPD2979 Phase 3
0.662 Remote Similarity NPD7009 Phase 2
0.6619 Remote Similarity NPD4869 Clinical (unspecified phase)
0.6618 Remote Similarity NPD74 Approved
0.6618 Remote Similarity NPD9266 Approved
0.6609 Remote Similarity NPD8313 Approved
0.6609 Remote Similarity NPD8312 Approved
0.6608 Remote Similarity NPD6020 Phase 2
0.6606 Remote Similarity NPD4966 Approved
0.6606 Remote Similarity NPD4965 Approved
0.6606 Remote Similarity NPD4967 Phase 2
0.6604 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6604 Remote Similarity NPD3645 Discontinued
0.6604 Remote Similarity NPD4160 Clinical (unspecified phase)
0.66 Remote Similarity NPD3268 Approved
0.6599 Remote Similarity NPD2797 Approved
0.6597 Remote Similarity NPD4879 Approved
0.6596 Remote Similarity NPD9493 Approved
0.6596 Remote Similarity NPD7325 Clinical (unspecified phase)
0.6594 Remote Similarity NPD6124 Clinical (unspecified phase)
0.659 Remote Similarity NPD5027 Approved
0.659 Remote Similarity NPD5031 Approved
0.659 Remote Similarity NPD5029 Approved
0.6589 Remote Similarity NPD2933 Approved
0.6589 Remote Similarity NPD2934 Approved
0.6585 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6584 Remote Similarity NPD7239 Suspended
0.6581 Remote Similarity NPD1471 Phase 3
0.6579 Remote Similarity NPD447 Suspended
0.6577 Remote Similarity NPD4207 Discontinued
0.6577 Remote Similarity NPD2605 Approved
0.6577 Remote Similarity NPD2606 Approved
0.6573 Remote Similarity NPD2490 Approved
0.6573 Remote Similarity NPD2488 Approved
0.657 Remote Similarity NPD5190 Phase 2
0.657 Remote Similarity NPD7074 Phase 3
0.6567 Remote Similarity NPD1237 Approved
0.6566 Remote Similarity NPD3749 Approved
0.6564 Remote Similarity NPD6873 Phase 2

Structure

External Identifiers

PubChem CID   10403490
ChEMBL   CHEMBL2252750
ZINC  

Physicochemical Properties

Molecular Weight:  316.20
ALogP:  0.3156
MLogP:  3.33
XLogP:  5.549
# Rotatable Bonds:  8
Polar Surface Area:  57.53
# H-Bond Aceptor:  1
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  23

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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