Natural Product: NPC198023

Natural Product ID:  NPC198023
Common Name:   Ar-Curcumene
IUPAC Name:   1-methyl-4-[(2R)-6-methylhept-5-en-2-yl]benzene
Synonyms:   Ar-Curcumene
Molecular Formula:   C15H22
Standard InCHIKey:  VMYXUZSZMNBRCN-CQSZACIVSA-N
Standard InCHI:  InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m1/s1
Canonical SMILES:  CC(=CCC[C@H](c1ccc(cc1)C)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
NPO3532 Tridentata marginata NA NA NA UNPD*
NPO29707 Benzoinum NA NA NA TCMSP*
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[24421258]
NPO13736 Cnidii fructus NA NA NA TCMSP*
NPO3251 Jacobaea maritima Species Asteraceae Eukaryota UNPD*
NPO12588 Cornus officinalis Species Cornaceae Eukaryota TCMSP*
NPO12682 Euphorbia helioscopia Species Euphorbiaceae Eukaryota UNPD*
NPO17691 Santalum album Species Santalaceae Eukaryota TCMSP*
NPO28985 Radix bupleuri Species Lymnaeidae Eukaryota TCMSP*
NPO9211 Margyricarpus setosus Species Rosaceae Eukaryota UNPD*
NPO18840 Platycladi cacumen NA NA NA TCMSP*
NPO13558 Mundulea suberosa Species Fabaceae Eukaryota UNPD*
NPO29671 Curcumae rhizoma NA NA NA TCMSP*
NPO2000 Helichrysum stenopterum Species Asteraceae Eukaryota UNPD*
NPO13103 Radix angelicae biseratae Species Lymnaeidae Eukaryota TCMSP*
NPO13461 Maytenus buchananii Species Celastraceae Eukaryota UNPD*
NPO29630 Panacis quinquefolii radix NA NA NA TCMSP*
NPO12346 Daphnandra apatela Species Atherospermataceae Eukaryota UNPD*
NPO29559 Cinnamomi ramulus NA NA NA TCMSP*
NPO12829 Ocotea acutifolia Species Lauraceae Eukaryota UNPD*
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota TM-MC*
NPO26146 Ruilopezia lindenii Species Asteraceae Eukaryota UNPD*
NPO7308 Fraxinus quadrangulata Species Oleaceae Eukaryota UNPD*
NPO25825 Saussurea costus Species Asteraceae Eukaryota TM-MC*
NPO10762 Brasilia sickii NA NA NA UNPD*
NPO9241 Adiantum capillus-veneris Species Pteridaceae Eukaryota UNPD*
NPO5896 Crinum laurentii Species Amaryllidaceae Eukaryota UNPD*
NPO22033 Cnidium officinale Species Apiaceae Eukaryota TM-MC*
NPO15995 Moesziomyces rugulosus Species Ustilaginaceae Eukaryota UNPD*
NPO22741 Curcuma kwangsiensis Species Zingiberaceae Eukaryota TM-MC*
NPO13162 Glycosmis petelotii Species Rutaceae Eukaryota UNPD*
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota TM-MC*
NPO25160 Goniothalamus borneensis Species Annonaceae Eukaryota UNPD*
NPO18068 Curcuma phaeocaulis Species Zingiberaceae Eukaryota TM-MC*
NPO10631 Gerbera lanuginosa Species Asteraceae Eukaryota UNPD*
NPO2618 Curcuma wenyujin Species Zingiberaceae Eukaryota TM-MC*
NPO7205 Fructus carotae NA NA NA TCMSP*
NPO29639 Aucklandiae radix NA NA NA TCMSP*
NPO19113 Curcumaelongae rhizoma NA NA NA TCMSP*
NPO6212 Myrrha Species Coccinellidae Eukaryota TCMSP*
NPO489 Codonopsis radix Species Campanulaceae Eukaryota TCMSP*
NPO29598 Mahoniae caulis NA NA NA TCMSP*
NPO29702 Zingiberis rhizoma NA NA NA TCMSP*
NPO7929 Curcuma zedoaria Species Zingiberaceae Eukaryota TM-MC*
NPO9462 Ligustici rhizoma et radix NA NA NA TCMSP*
NPO18951 Ligusticum sinense Species Apiaceae Eukaryota TM-MC*
NPO22562 Atractylodes macrocephala koidz Species Asteraceae Eukaryota TCMSP*
NPO11474 Ligusticum jeholense Species Apiaceae Eukaryota TM-MC*
NPO29579 Arisaematis rhizoma NA NA NA TCMSP*
NPO2154 Ligusticum tenuissimum Species Apiaceae Eukaryota TM-MC*
NPO19092 Morindae officinalis radix NA NA NA TCMSP*
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota TM-MC*
NPO29650 Lysimachiae herba NA NA NA TCMSP*
NPO18932 Melia azedarach Species Meliaceae Eukaryota TM-MC*
NPO25951 Chuanxiong rhizoma NA NA NA TCMSP*
NPO18932.1 Melia azedarach var. toosendan Varieties Meliaceae Eukaryota TM-MC*
NPO26439 Folium artemisiae argyi NA NA NA TCMSP*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2517 Organism Human rhinovirus 1B Human rhinovirus 1B ED50 = 20.4 ug 8064299
NPT116 Cell Line HL-60 Homo sapiens IC50 = 108600 nM 22575162
NPT116 Cell Line HL-60 Homo sapiens IC50 = 106700 nM 22575162
NPT116 Cell Line HL-60 Homo sapiens IC50 = 146700 nM 22575162

  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 NPC198023 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
0.9833 High Similarity NPC88566
0.9516 High Similarity NPC178527
0.95 High Similarity NPC248705
0.95 High Similarity NPC54368
0.95 High Similarity NPC135924
0.9355 High Similarity NPC155172
0.9355 High Similarity NPC32312
0.9194 High Similarity NPC45756
0.918 High Similarity NPC210849
0.9167 High Similarity NPC8235
0.9062 High Similarity NPC267443
0.9062 High Similarity NPC6107
0.9032 High Similarity NPC29680
0.9 High Similarity NPC212114
0.9 High Similarity NPC65873
0.9 High Similarity NPC120441
0.9 High Similarity NPC300345
0.8955 High Similarity NPC54269
0.8906 High Similarity NPC113837
0.8906 High Similarity NPC289915
0.8871 High Similarity NPC238023
0.8871 High Similarity NPC150196
0.8871 High Similarity NPC310758
0.8833 High Similarity NPC198841
0.8833 High Similarity NPC269586
0.871 High Similarity NPC147062
0.8667 High Similarity NPC149436
0.8667 High Similarity NPC277704
0.8594 High Similarity NPC113670
0.8571 High Similarity NPC246588
0.8548 High Similarity NPC64270
0.8529 High Similarity NPC135433
0.8529 High Similarity NPC158028
0.8529 High Similarity NPC193578
0.8529 High Similarity NPC1008
0.8529 High Similarity NPC87099
0.8529 High Similarity NPC226999
0.8529 High Similarity NPC280135
0.8529 High Similarity NPC39799
0.8451 Intermediate Similarity NPC3190
0.8451 Intermediate Similarity NPC249018
0.8438 Intermediate Similarity NPC22786
0.8438 Intermediate Similarity NPC66517
0.8438 Intermediate Similarity NPC71009
0.8413 Intermediate Similarity NPC169110
0.8333 Intermediate Similarity NPC103488
0.8308 Intermediate Similarity NPC21211
0.8254 Intermediate Similarity NPC114327
0.8254 Intermediate Similarity NPC36357
0.8235 Intermediate Similarity NPC213570
0.8235 Intermediate Similarity NPC246822
0.8235 Intermediate Similarity NPC139416
0.8235 Intermediate Similarity NPC297358
0.8219 Intermediate Similarity NPC159661
0.8182 Intermediate Similarity NPC291066
0.8169 Intermediate Similarity NPC307195
0.8116 Intermediate Similarity NPC72670
0.8108 Intermediate Similarity NPC157055
0.8108 Intermediate Similarity NPC17408
0.8108 Intermediate Similarity NPC285716
0.8088 Intermediate Similarity NPC22760
0.8056 Intermediate Similarity NPC110264
0.8028 Intermediate Similarity NPC96835
0.8028 Intermediate Similarity NPC258492
0.7971 Intermediate Similarity NPC473206
0.7917 Intermediate Similarity NPC276699
0.791 Intermediate Similarity NPC264470
0.7895 Intermediate Similarity NPC230068
0.7887 Intermediate Similarity NPC212463
0.7879 Intermediate Similarity NPC200745
0.7867 Intermediate Similarity NPC315216
0.7857 Intermediate Similarity NPC263385
0.7857 Intermediate Similarity NPC251490
0.7763 Intermediate Similarity NPC242628
0.7761 Intermediate Similarity NPC50266
0.7727 Intermediate Similarity NPC45255
0.7714 Intermediate Similarity NPC200936
0.7703 Intermediate Similarity NPC298023
0.7703 Intermediate Similarity NPC290638
0.7639 Intermediate Similarity NPC1901
0.7606 Intermediate Similarity NPC95289
0.76 Intermediate Similarity NPC245896
0.76 Intermediate Similarity NPC224544
0.76 Intermediate Similarity NPC66270
0.7576 Intermediate Similarity NPC147578
0.7571 Intermediate Similarity NPC311343
0.7536 Intermediate Similarity NPC36440
0.75 Intermediate Similarity NPC74458
0.7468 Intermediate Similarity NPC267704
0.7465 Intermediate Similarity NPC98880
0.7463 Intermediate Similarity NPC200624
0.7432 Intermediate Similarity NPC189371
0.7407 Intermediate Similarity NPC60408
0.7403 Intermediate Similarity NPC50063
0.7397 Intermediate Similarity NPC285679
0.7375 Intermediate Similarity NPC252067
0.7375 Intermediate Similarity NPC474354
0.7361 Intermediate Similarity NPC229235
0.7324 Intermediate Similarity NPC78954
0.7324 Intermediate Similarity NPC82770
0.7324 Intermediate Similarity NPC239931
0.7308 Intermediate Similarity NPC145053
0.7297 Intermediate Similarity NPC112609
0.7297 Intermediate Similarity NPC113000
0.7297 Intermediate Similarity NPC122327
0.7284 Intermediate Similarity NPC243166
0.7284 Intermediate Similarity NPC93843
0.7284 Intermediate Similarity NPC474211
0.726 Intermediate Similarity NPC326200
0.726 Intermediate Similarity NPC208302
0.725 Intermediate Similarity NPC168855
0.7237 Intermediate Similarity NPC9796
0.7229 Intermediate Similarity NPC298115
0.7222 Intermediate Similarity NPC169222
0.7222 Intermediate Similarity NPC235059
0.7222 Intermediate Similarity NPC16190
0.7222 Intermediate Similarity NPC5324
0.7183 Intermediate Similarity NPC52330
0.7179 Intermediate Similarity NPC328178
0.7179 Intermediate Similarity NPC477703
0.7179 Intermediate Similarity NPC190567
0.7167 Intermediate Similarity NPC11150
0.7162 Intermediate Similarity NPC271437
0.7162 Intermediate Similarity NPC244738
0.7143 Intermediate Similarity NPC76455
0.7143 Intermediate Similarity NPC26224
0.7143 Intermediate Similarity NPC274455
0.7143 Intermediate Similarity NPC86670
0.7143 Intermediate Similarity NPC50192
0.7143 Intermediate Similarity NPC70940
0.7143 Intermediate Similarity NPC255345
0.7143 Intermediate Similarity NPC137847
0.7125 Intermediate Similarity NPC197581
0.7125 Intermediate Similarity NPC477770
0.7105 Intermediate Similarity NPC139658
0.7105 Intermediate Similarity NPC271642
0.7089 Intermediate Similarity NPC231986
0.7089 Intermediate Similarity NPC133050
0.7073 Intermediate Similarity NPC307
0.7073 Intermediate Similarity NPC160339
0.7067 Intermediate Similarity NPC108218
0.7067 Intermediate Similarity NPC208075
0.7059 Intermediate Similarity NPC220596
0.7059 Intermediate Similarity NPC133461
0.7059 Intermediate Similarity NPC125226
0.7051 Intermediate Similarity NPC469894
0.7051 Intermediate Similarity NPC272260
0.7037 Intermediate Similarity NPC95429
0.7037 Intermediate Similarity NPC133162
0.7027 Intermediate Similarity NPC155429
0.7024 Intermediate Similarity NPC1793
0.7013 Intermediate Similarity NPC98269
0.7013 Intermediate Similarity NPC325662
0.7013 Intermediate Similarity NPC329318
0.7 Intermediate Similarity NPC14326
0.7 Intermediate Similarity NPC103387
0.6988 Remote Similarity NPC69057
0.6977 Remote Similarity NPC314690
0.6977 Remote Similarity NPC153885
0.6974 Remote Similarity NPC98976
0.6962 Remote Similarity NPC184030
0.6962 Remote Similarity NPC164449
0.6941 Remote Similarity NPC58872
0.6923 Remote Similarity NPC2785
0.6923 Remote Similarity NPC36342
0.6923 Remote Similarity NPC285470
0.6914 Remote Similarity NPC270507
0.6905 Remote Similarity NPC153308
0.6897 Remote Similarity NPC238219
0.6892 Remote Similarity NPC219246
0.6883 Remote Similarity NPC175393
0.6875 Remote Similarity NPC303245
0.6875 Remote Similarity NPC100039
0.6867 Remote Similarity NPC164526
0.686 Remote Similarity NPC475023
0.686 Remote Similarity NPC475059
0.686 Remote Similarity NPC79917
0.6849 Remote Similarity NPC181786
0.6835 Remote Similarity NPC139901
0.6835 Remote Similarity NPC151405
0.6835 Remote Similarity NPC170484
0.6835 Remote Similarity NPC300205
0.6829 Remote Similarity NPC304538
0.6818 Remote Similarity NPC260233
0.6795 Remote Similarity NPC3672
0.6795 Remote Similarity NPC245966
0.6795 Remote Similarity NPC287790
0.6795 Remote Similarity NPC179726
0.679 Remote Similarity NPC121478
0.679 Remote Similarity NPC73637
0.679 Remote Similarity NPC323103
0.679 Remote Similarity NPC106313
0.6786 Remote Similarity NPC322387
0.6782 Remote Similarity NPC155232
0.6782 Remote Similarity NPC475057
0.6782 Remote Similarity NPC188844
0.6782 Remote Similarity NPC323420
0.6782 Remote Similarity NPC1682
0.6753 Remote Similarity NPC32203
0.6753 Remote Similarity NPC206800

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC198023 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
0.8594 High Similarity NPD675 Discontinued
0.8235 Intermediate Similarity NPD1673 Approved
0.791 Intermediate Similarity NPD173 Clinical (unspecified phase)
0.7746 Intermediate Similarity NPD294 Approved
0.7746 Intermediate Similarity NPD292 Approved
0.7714 Intermediate Similarity NPD9497 Clinical (unspecified phase)
0.7564 Intermediate Similarity NPD5288 Clinical (unspecified phase)
0.7532 Intermediate Similarity NPD3035 Approved
0.7436 Intermediate Similarity NPD4170 Approved
0.7436 Intermediate Similarity NPD4169 Approved
0.7436 Intermediate Similarity NPD4701 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD1087 Approved
0.7403 Intermediate Similarity NPD3904 Approved
0.7403 Intermediate Similarity NPD3979 Approved
0.7403 Intermediate Similarity NPD3903 Approved
0.7403 Intermediate Similarity NPD3981 Approved
0.7368 Intermediate Similarity NPD79 Approved
0.7368 Intermediate Similarity NPD9564 Approved
0.7368 Intermediate Similarity NPD9563 Approved
0.7342 Intermediate Similarity NPD4635 Approved
0.7342 Intermediate Similarity NPD2001 Discontinued
0.7317 Intermediate Similarity NPD1101 Approved
0.7297 Intermediate Similarity NPD9593 Approved
0.7297 Intermediate Similarity NPD9590 Approved
0.7297 Intermediate Similarity NPD9588 Approved
0.7297 Intermediate Similarity NPD9592 Approved
0.7297 Intermediate Similarity NPD9591 Approved
0.7297 Intermediate Similarity NPD80 Approved
0.7297 Intermediate Similarity NPD9589 Approved
0.7297 Intermediate Similarity NPD9594 Approved
0.7273 Intermediate Similarity NPD590 Approved
0.7273 Intermediate Similarity NPD589 Approved
0.7273 Intermediate Similarity NPD1475 Approved
0.725 Intermediate Similarity NPD4544 Approved
0.7237 Intermediate Similarity NPD4144 Approved
0.7237 Intermediate Similarity NPD4147 Approved
0.7179 Intermediate Similarity NPD1617 Discontinued
0.7179 Intermediate Similarity NPD260 Discontinued
0.7162 Intermediate Similarity NPD9728 Phase 1
0.716 Intermediate Similarity NPD2208 Approved
0.716 Intermediate Similarity NPD2205 Approved
0.7143 Intermediate Similarity NPD1089 Approved
0.7143 Intermediate Similarity NPD1086 Approved
0.7143 Intermediate Similarity NPD1090 Approved
0.7089 Intermediate Similarity NPD4026 Approved
0.7089 Intermediate Similarity NPD4027 Approved
0.7073 Intermediate Similarity NPD3099 Discontinued
0.7067 Intermediate Similarity NPD505 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD1051 Approved
0.7051 Intermediate Similarity NPD1053 Approved
0.7051 Intermediate Similarity NPD1052 Approved
0.7037 Intermediate Similarity NPD3427 Approved
0.7037 Intermediate Similarity NPD3429 Approved
0.7024 Intermediate Similarity NPD771 Phase 3
0.7024 Intermediate Similarity NPD800 Approved
0.7013 Intermediate Similarity NPD603 Approved
0.6988 Remote Similarity NPD3426 Approved
0.6988 Remote Similarity NPD4146 Approved
0.6988 Remote Similarity NPD3428 Approved
0.6988 Remote Similarity NPD4145 Approved
0.6988 Remote Similarity NPD2002 Discontinued
0.6977 Remote Similarity NPD1088 Approved
0.6962 Remote Similarity NPD5371 Approved
0.6962 Remote Similarity NPD5372 Approved
0.6951 Remote Similarity NPD5734 Clinical (unspecified phase)
0.6923 Remote Similarity NPD295 Approved
0.6923 Remote Similarity NPD293 Approved
0.6923 Remote Similarity NPD296 Approved
0.6914 Remote Similarity NPD3971 Phase 1
0.6914 Remote Similarity NPD1185 Approved
0.6905 Remote Similarity NPD5675 Discontinued
0.6897 Remote Similarity NPD1409 Phase 3
0.6867 Remote Similarity NPD4409 Approved
0.6867 Remote Similarity NPD4636 Approved
0.6867 Remote Similarity NPD4406 Approved
0.6829 Remote Similarity NPD5178 Approved
0.6824 Remote Similarity NPD5656 Clinical (unspecified phase)
0.6818 Remote Similarity NPD1693 Approved
0.6818 Remote Similarity NPD6049 Phase 2
0.6818 Remote Similarity NPD4814 Discontinued
0.6818 Remote Similarity NPD6048 Clinical (unspecified phase)
0.6782 Remote Similarity NPD7631 Approved
0.6753 Remote Similarity NPD9716 Approved
0.675 Remote Similarity NPD1507 Clinical (unspecified phase)
0.675 Remote Similarity NPD914 Suspended
0.6747 Remote Similarity NPD5916 Discontinued
0.6744 Remote Similarity NPD3346 Approved
0.6744 Remote Similarity NPD5915 Approved
0.6744 Remote Similarity NPD3673 Approved
0.6744 Remote Similarity NPD3672 Approved
0.6744 Remote Similarity NPD3344 Approved
0.6709 Remote Similarity NPD225 Approved
0.6709 Remote Similarity NPD227 Approved
0.6709 Remote Similarity NPD9393 Approved
0.6709 Remote Similarity NPD9397 Approved
0.6707 Remote Similarity NPD830 Approved
0.6707 Remote Similarity NPD263 Approved
0.6707 Remote Similarity NPD831 Approved
0.6707 Remote Similarity NPD4000 Phase 3
0.6707 Remote Similarity NPD262 Approved
0.6706 Remote Similarity NPD3345 Approved
0.6705 Remote Similarity NPD2878 Approved
0.6705 Remote Similarity NPD1563 Approved
0.6705 Remote Similarity NPD3980 Approved
0.6705 Remote Similarity NPD3982 Approved
0.6667 Remote Similarity NPD1697 Approved
0.6667 Remote Similarity NPD7609 Phase 3
0.6667 Remote Similarity NPD3495 Discontinued
0.6667 Remote Similarity NPD942 Approved
0.6667 Remote Similarity NPD472 Approved
0.6628 Remote Similarity NPD5347 Phase 2
0.6628 Remote Similarity NPD5346 Phase 2
0.6627 Remote Similarity NPD2538 Approved
0.6627 Remote Similarity NPD2539 Approved
0.6627 Remote Similarity NPD785 Approved
0.6625 Remote Similarity NPD508 Approved
0.6625 Remote Similarity NPD507 Approved
0.6593 Remote Similarity NPD4263 Approved
0.6593 Remote Similarity NPD4813 Approved
0.6588 Remote Similarity NPD650 Approved
0.6588 Remote Similarity NPD781 Approved
0.6588 Remote Similarity NPD782 Approved
0.6588 Remote Similarity NPD783 Approved
0.6588 Remote Similarity NPD780 Approved
0.6556 Remote Similarity NPD3093 Approved
0.6556 Remote Similarity NPD1989 Approved
0.6522 Remote Similarity NPD4737 Phase 2
0.6522 Remote Similarity NPD2066 Phase 3
0.6517 Remote Similarity NPD3718 Approved
0.6517 Remote Similarity NPD3719 Approved
0.6517 Remote Similarity NPD845 Approved
0.6517 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6512 Remote Similarity NPD531 Approved
0.6506 Remote Similarity NPD1800 Clinical (unspecified phase)
0.6484 Remote Similarity NPD5598 Approved
0.6484 Remote Similarity NPD288 Approved
0.6484 Remote Similarity NPD1564 Approved
0.6484 Remote Similarity NPD1566 Phase 3
0.6484 Remote Similarity NPD5597 Approved
0.6484 Remote Similarity NPD1565 Approved
0.6477 Remote Similarity NPD530 Approved
0.6477 Remote Similarity NPD1239 Approved
0.6477 Remote Similarity NPD4543 Discontinued
0.6471 Remote Similarity NPD5252 Clinical (unspecified phase)
0.6463 Remote Similarity NPD226 Approved
0.6444 Remote Similarity NPD2655 Approved
0.6444 Remote Similarity NPD5554 Approved
0.6444 Remote Similarity NPD2656 Approved
0.6429 Remote Similarity NPD9395 Approved
0.642 Remote Similarity NPD9490 Approved
0.6404 Remote Similarity NPD4408 Approved
0.6404 Remote Similarity NPD4407 Approved
0.6404 Remote Similarity NPD4405 Approved
0.6395 Remote Similarity NPD4793 Discontinued
0.6383 Remote Similarity NPD5753 Discontinued
0.6383 Remote Similarity NPD4735 Approved
0.6383 Remote Similarity NPD4734 Approved
0.6375 Remote Similarity NPD9294 Approved
0.6374 Remote Similarity NPD5963 Phase 2
0.6374 Remote Similarity NPD5964 Phase 2
0.6374 Remote Similarity NPD1738 Approved
0.6374 Remote Similarity NPD6472 Discontinued
0.6374 Remote Similarity NPD2895 Discontinued
0.6374 Remote Similarity NPD844 Approved
0.6364 Remote Similarity NPD2811 Clinical (unspecified phase)
0.6364 Remote Similarity NPD4728 Approved
0.6353 Remote Similarity NPD9505 Clinical (unspecified phase)
0.6333 Remote Similarity NPD4545 Approved
0.6333 Remote Similarity NPD4542 Approved
0.6316 Remote Similarity NPD5700 Clinical (unspecified phase)
0.631 Remote Similarity NPD423 Phase 3
0.631 Remote Similarity NPD9491 Approved
0.6304 Remote Similarity NPD713 Clinical (unspecified phase)
0.6292 Remote Similarity NPD2998 Approved
0.6292 Remote Similarity NPD517 Discontinued
0.6292 Remote Similarity NPD2997 Approved
0.6292 Remote Similarity NPD3000 Approved
0.6277 Remote Similarity NPD6354 Discontinued
0.6264 Remote Similarity NPD1432 Clinical (unspecified phase)
0.6264 Remote Similarity NPD4094 Approved
0.6237 Remote Similarity NPD5832 Phase 3
0.6222 Remote Similarity NPD1508 Approved
0.6222 Remote Similarity NPD752 Approved
0.6212 Remote Similarity NPD9072 Clinical (unspecified phase)
0.6211 Remote Similarity NPD2648 Phase 3
0.6211 Remote Similarity NPD2193 Phase 2
0.6211 Remote Similarity NPD2196 Discontinued
0.6207 Remote Similarity NPD506 Clinical (unspecified phase)
0.6196 Remote Similarity NPD3458 Approved
0.6196 Remote Similarity NPD3456 Approved
0.6196 Remote Similarity NPD3457 Approved
0.6196 Remote Similarity NPD2005 Discontinued
0.6196 Remote Similarity NPD2507 Clinical (unspecified phase)
0.617 Remote Similarity NPD4008 Approved
0.617 Remote Similarity NPD4007 Approved
0.617 Remote Similarity NPD1796 Phase 3
0.617 Remote Similarity NPD3020 Approved
0.6154 Remote Similarity NPD719 Approved
0.6154 Remote Similarity NPD720 Approved
0.6136 Remote Similarity NPD588 Approved

Structure

External Identifiers

PubChem CID   442360
ChEMBL   CHEMBL469717
ZINC  

Physicochemical Properties

Molecular Weight:  202.17
ALogP:  2.8428
MLogP:  3.11
XLogP:  7.712
# Rotatable Bonds:  8
Polar Surface Area:  0
# H-Bond Aceptor:  0
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  15

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs