Natural Product: NPC127343

Natural Product ID:  NPC127343
Common Name:   Phenyl Propionic Acid
IUPAC Name:   3-phenylpropanoic acid
Synonyms:   Phenyl propionic acid
Molecular Formula:   C9H10O2
Standard InCHIKey:  XMIIGOLPHOKFCH-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
Canonical SMILES:  OC(=O)CCc1ccccc1
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
NPO2837 Aloe spicata Species Asphodelaceae Eukaryota TM-MC*
NPO4182 Hygrophorus chrysodon Species Hygrophoraceae Eukaryota UNPD*
NPO9546 Cinamomum cassia NA NA NA TM-MC*
NPO2862 Dendrilla cavernosa Species Darwinellidae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[21761941]
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[19812218]
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[22308371]
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[19812218]
NPO23628 Imperata cylindrica Species Poaceae Eukaryota TCM_Taiwan*
NPO23911 Alpinia officinarum Species Zingiberaceae Eukaryota TCM_Taiwan*
NPO730 Escherichia coli Species Enterobacteriaceae Bacteria PMID[21988831]
NPO8255 Cinnamomum aromaticum Species Lauraceae Eukaryota TM-MC*
NPO7057 Ptarmica ptarmicifolia NA NA NA UNPD*
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota TM-MC*
NPO1870 Polyporus dryadeus Species Polyporaceae Eukaryota UNPD*
NPO23628 Imperata cylindrica Species Poaceae Eukaryota TM-MC*
NPO7932 Ips confusus Species Curculionidae Eukaryota UNPD*
NPO28679 Prunus mume Species Rosaceae Eukaryota TM-MC*
NPO623 Amaranthus hypochondriacus Species Amaranthaceae Eukaryota UNPD*
NPO5986 Ziziphus jujuba Species Rhamnaceae Eukaryota TM-MC*
NPO25934 Diphasiastrum thyoides Species Lycopodiaceae Eukaryota UNPD*
NPO10256 Liquidambar orientalis Species Altingiaceae Eukaryota TCMID*
NPO17765 Mycale parishi Species Mycalidae Eukaryota UNPD*
NPO14558 Aquilaria sinensis Species Thymelaeaceae Eukaryota TCMID*
NPO5918 Thermopsis dolichocarpa Species Fabaceae Eukaryota UNPD*
NPO19633 Polylepis racemosa Species Rosaceae Eukaryota UNPD*
NPO5481 Fomes robiniae Species Coriolaceae Eukaryota UNPD*
NPO3423 Teucrium asiaticum Species Lamiaceae Eukaryota UNPD*
NPO6081 Limnocharis flava Species Alismataceae Eukaryota UNPD*
NPO18264 Campanula kemulariae Species Campanulaceae Eukaryota UNPD*
NPO7216 Helicteres angustifolia Species Malvaceae Eukaryota UNPD*
NPO2302 Sedum litoreum Species Crassulaceae Eukaryota UNPD*
NPO5143 Millettia ferruginea Species Fabaceae Eukaryota UNPD*
NPO275 Amphilophis odorata NA NA NA UNPD*
NPO3829 Euphorbia myrsinites Species Euphorbiaceae Eukaryota UNPD*
NPO14744 Lonchocarpus violaceus Species Fabaceae Eukaryota UNPD*
NPO23911 Alpinia officinarum Species Zingiberaceae Eukaryota Rhizomes PMID[19615910]
NPO15798 Viscum angulatum heyne Species Viscaceae Eukaryota TCMSP*
NPO1509 Hippeastrum papilio Species Amaryllidaceae Eukaryota UNPD*
NPO29546 Eriobotryae folium NA NA NA TCMSP*
NPO19574 Potentilla kleiniana Species Rosaceae Eukaryota UNPD*
NPO29560 Carthami flos NA NA NA TCMSP*
NPO780 Senecio viscosus Species Asteraceae Eukaryota UNPD*
NPO29374 Anisi stellati fructus NA NA NA TCMSP*
NPO6480 Zanthoxylum fraxineum Species Rutaceae Eukaryota UNPD*
NPO29589 Linderae radix NA NA NA TCMSP*
NPO26520 Wyethia mollis Species Asteraceae Eukaryota UNPD*
NPO29559 Cinnamomi ramulus NA NA NA TCMSP*
NPO17959 Berberis repens Species Berberidaceae Eukaryota UNPD*
NPO29556 Piperis longi fructus NA NA NA TCMSP*
NPO6723 Globularia cordifolia Species Plantaginaceae Eukaryota UNPD*
NPO31781 Streptomyces anu 6277 Species Streptomycetaceae Bacteria StreptomeDB*
NPO8268 Croton laccifer Species Euphorbiaceae Eukaryota UNPD*
NPO2997 Aloe africana Species Xanthorrhoeaceae Eukaryota TM-MC*
NPO11973 Gymnothorax javanicus Species Muraenidae Eukaryota UNPD*
NPO11578 Aloe vera Species Xanthorrhoeaceae Eukaryota TM-MC*
NPO4007 Vicia amurensis Species Fabaceae Eukaryota UNPD*
NPO14763 Aloe ferox Species Asphodelaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition = 0.1 % 19615910
NPT2 Others Unspecified Inhibition = 6.3 % 19615910
NPT2 Others Unspecified Inhibition = 3.8 % 19615910
NPT2 Others Unspecified Inhibition = 16.9 % 19615910
NPT2 Others Unspecified Inhibition = 20.9 % 19615910
NPT319 Cell Line B16 Mus musculus IC50 > 100000 nM 19615910
NPT2 Others Unspecified Inhibition = -1.4 % 19615910
NPT2 Others Unspecified Inhibition = -2.8 % 19615910
NPT2 Others Unspecified Inhibition = 1.2 % 19615910
NPT2 Others Unspecified Inhibition = 1.3 % 19615910
NPT2 Others Unspecified Inhibition = 2.9 % 19615910
NPT2 Others Unspecified IC50 > 100000 nM 19615910
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 3.8 % 19615910
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 5.3 % 19615910
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 4.9 % 19615910
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 4.8 % 19615910
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 5.6 % 19615910
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 > 100000 nM 19615910
NPT2 Others Unspecified Potency 48966.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6859 nM PubChem BioAssay data set
NPT4109 Individual Protein C-terminal-binding protein 2 Homo sapiens IC50 > 300000 nM 27156192

  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 NPC127343 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
0.961 High Similarity NPC285773
0.961 High Similarity NPC44830
0.9367 High Similarity NPC95965
0.9136 High Similarity NPC322387
0.9024 High Similarity NPC329064
0.8875 High Similarity NPC288903
0.881 High Similarity NPC86670
0.881 High Similarity NPC70940
0.881 High Similarity NPC274455
0.8706 High Similarity NPC317645
0.8667 High Similarity NPC155429
0.8659 High Similarity NPC294134
0.8605 High Similarity NPC323164
0.8488 Intermediate Similarity NPC110704
0.8488 Intermediate Similarity NPC86987
0.8409 Intermediate Similarity NPC172925
0.8353 Intermediate Similarity NPC477704
0.8353 Intermediate Similarity NPC477693
0.8293 Intermediate Similarity NPC323103
0.8272 Intermediate Similarity NPC121800
0.8256 Intermediate Similarity NPC9822
0.8222 Intermediate Similarity NPC122493
0.8222 Intermediate Similarity NPC10781
0.8222 Intermediate Similarity NPC324569
0.8222 Intermediate Similarity NPC293628
0.8222 Intermediate Similarity NPC477767
0.8193 Intermediate Similarity NPC270507
0.8182 Intermediate Similarity NPC74458
0.8182 Intermediate Similarity NPC208302
0.8161 Intermediate Similarity NPC84288
0.8161 Intermediate Similarity NPC62765
0.8148 Intermediate Similarity NPC170484
0.8132 Intermediate Similarity NPC210529
0.8132 Intermediate Similarity NPC160548
0.8132 Intermediate Similarity NPC271475
0.8132 Intermediate Similarity NPC229242
0.8132 Intermediate Similarity NPC175852
0.8077 Intermediate Similarity NPC271437
0.8077 Intermediate Similarity NPC285679
0.8072 Intermediate Similarity NPC103387
0.8068 Intermediate Similarity NPC141607
0.8068 Intermediate Similarity NPC187725
0.8043 Intermediate Similarity NPC245561
0.8043 Intermediate Similarity NPC217621
0.8043 Intermediate Similarity NPC12730
0.8022 Intermediate Similarity NPC253423
0.7975 Intermediate Similarity NPC208075
0.7975 Intermediate Similarity NPC108218
0.7957 Intermediate Similarity NPC133809
0.7957 Intermediate Similarity NPC94487
0.7957 Intermediate Similarity NPC264728
0.7957 Intermediate Similarity NPC225079
0.7957 Intermediate Similarity NPC136810
0.7957 Intermediate Similarity NPC52472
0.7957 Intermediate Similarity NPC128248
0.7931 Intermediate Similarity NPC325441
0.7912 Intermediate Similarity NPC61944
0.7912 Intermediate Similarity NPC261947
0.7907 Intermediate Similarity NPC318107
0.7889 Intermediate Similarity NPC34243
0.7882 Intermediate Similarity NPC44546
0.7875 Intermediate Similarity NPC32203
0.7875 Intermediate Similarity NPC206800
0.7875 Intermediate Similarity NPC189371
0.7872 Intermediate Similarity NPC284477
0.7872 Intermediate Similarity NPC304873
0.7872 Intermediate Similarity NPC474820
0.7872 Intermediate Similarity NPC475978
0.7872 Intermediate Similarity NPC25458
0.7802 Intermediate Similarity NPC206764
0.7789 Intermediate Similarity NPC255676
0.7789 Intermediate Similarity NPC164859
0.7789 Intermediate Similarity NPC160382
0.7789 Intermediate Similarity NPC329556
0.7789 Intermediate Similarity NPC13426
0.7766 Intermediate Similarity NPC282895
0.7753 Intermediate Similarity NPC258627
0.7742 Intermediate Similarity NPC120393
0.7717 Intermediate Similarity NPC469893
0.7711 Intermediate Similarity NPC272260
0.7711 Intermediate Similarity NPC300205
0.7708 Intermediate Similarity NPC329282
0.7708 Intermediate Similarity NPC19136
0.7692 Intermediate Similarity NPC261181
0.7683 Intermediate Similarity NPC9796
0.7683 Intermediate Similarity NPC298023
0.7683 Intermediate Similarity NPC245966
0.7674 Intermediate Similarity NPC267704
0.766 Intermediate Similarity NPC228435
0.764 Intermediate Similarity NPC231591
0.7634 Intermediate Similarity NPC270654
0.7634 Intermediate Similarity NPC469890
0.7634 Intermediate Similarity NPC469892
0.7634 Intermediate Similarity NPC469891
0.7634 Intermediate Similarity NPC226041
0.7634 Intermediate Similarity NPC289201
0.7629 Intermediate Similarity NPC321670
0.7629 Intermediate Similarity NPC105899
0.7629 Intermediate Similarity NPC13495
0.7629 Intermediate Similarity NPC67043
0.7619 Intermediate Similarity NPC477703
0.7619 Intermediate Similarity NPC309279
0.7619 Intermediate Similarity NPC164086
0.7614 Intermediate Similarity NPC194326
0.7614 Intermediate Similarity NPC89377
0.7609 Intermediate Similarity NPC130398
0.759 Intermediate Similarity NPC224544
0.759 Intermediate Similarity NPC137847
0.759 Intermediate Similarity NPC76455
0.759 Intermediate Similarity NPC36342
0.759 Intermediate Similarity NPC285470
0.759 Intermediate Similarity NPC103488
0.759 Intermediate Similarity NPC2785
0.759 Intermediate Similarity NPC50192
0.7586 Intermediate Similarity NPC475710
0.7586 Intermediate Similarity NPC123476
0.7558 Intermediate Similarity NPC477770
0.7553 Intermediate Similarity NPC317280
0.7553 Intermediate Similarity NPC329387
0.7553 Intermediate Similarity NPC322598
0.7553 Intermediate Similarity NPC260000
0.7551 Intermediate Similarity NPC142326
0.7551 Intermediate Similarity NPC244933
0.7551 Intermediate Similarity NPC94751
0.7551 Intermediate Similarity NPC85560
0.7551 Intermediate Similarity NPC317592
0.75 Intermediate Similarity NPC139901
0.75 Intermediate Similarity NPC151405
0.7475 Intermediate Similarity NPC249811
0.7475 Intermediate Similarity NPC156648
0.7474 Intermediate Similarity NPC54647
0.7474 Intermediate Similarity NPC221825
0.7474 Intermediate Similarity NPC280869
0.7474 Intermediate Similarity NPC7435
0.7473 Intermediate Similarity NPC476484
0.747 Intermediate Similarity NPC329318
0.7447 Intermediate Similarity NPC276775
0.7447 Intermediate Similarity NPC156021
0.7447 Intermediate Similarity NPC249912
0.7447 Intermediate Similarity NPC92754
0.7444 Intermediate Similarity NPC220893
0.7442 Intermediate Similarity NPC73637
0.7442 Intermediate Similarity NPC121478
0.7416 Intermediate Similarity NPC96625
0.7412 Intermediate Similarity NPC164449
0.7412 Intermediate Similarity NPC95868
0.7412 Intermediate Similarity NPC190567
0.7412 Intermediate Similarity NPC192623
0.7412 Intermediate Similarity NPC17408
0.7412 Intermediate Similarity NPC157055
0.7412 Intermediate Similarity NPC184030
0.7412 Intermediate Similarity NPC285716
0.7412 Intermediate Similarity NPC71664
0.74 Intermediate Similarity NPC31274
0.74 Intermediate Similarity NPC318327
0.74 Intermediate Similarity NPC85493
0.7396 Intermediate Similarity NPC42211
0.7396 Intermediate Similarity NPC473325
0.7386 Intermediate Similarity NPC58616
0.7374 Intermediate Similarity NPC37914
0.7368 Intermediate Similarity NPC179411
0.7368 Intermediate Similarity NPC78701
0.7368 Intermediate Similarity NPC225060
0.7368 Intermediate Similarity NPC35448
0.7356 Intermediate Similarity NPC273758
0.7349 Intermediate Similarity NPC175393
0.7333 Intermediate Similarity NPC304760
0.7327 Intermediate Similarity NPC234639
0.7327 Intermediate Similarity NPC326187
0.7326 Intermediate Similarity NPC12936
0.7326 Intermediate Similarity NPC133050
0.7326 Intermediate Similarity NPC117180
0.7326 Intermediate Similarity NPC73978
0.7326 Intermediate Similarity NPC145053
0.7326 Intermediate Similarity NPC273033
0.732 Intermediate Similarity NPC244427
0.732 Intermediate Similarity NPC474112
0.732 Intermediate Similarity NPC222390
0.732 Intermediate Similarity NPC320891
0.73 Intermediate Similarity NPC20485
0.7292 Intermediate Similarity NPC325497
0.7292 Intermediate Similarity NPC146351
0.7292 Intermediate Similarity NPC118343
0.7292 Intermediate Similarity NPC203925
0.7262 Intermediate Similarity NPC66655
0.7262 Intermediate Similarity NPC3672
0.7262 Intermediate Similarity NPC287790
0.7255 Intermediate Similarity NPC260818
0.7255 Intermediate Similarity NPC95126
0.7255 Intermediate Similarity NPC319579
0.7255 Intermediate Similarity NPC313981
0.7255 Intermediate Similarity NPC222084
0.7255 Intermediate Similarity NPC475002
0.7253 Intermediate Similarity NPC173443
0.725 Intermediate Similarity NPC98880
0.7245 Intermediate Similarity NPC247976
0.7245 Intermediate Similarity NPC274443
0.7245 Intermediate Similarity NPC471317
0.7245 Intermediate Similarity NPC291426
0.7241 Intermediate Similarity NPC103326

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC127343 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
0.9867 High Similarity NPD226 Approved
0.961 High Similarity NPD9491 Approved
0.9467 High Similarity NPD227 Approved
0.9467 High Similarity NPD225 Approved
0.9136 High Similarity NPD4793 Discontinued
0.9091 High Similarity NPD9490 Approved
0.8916 High Similarity NPD800 Approved
0.8916 High Similarity NPD5347 Phase 2
0.8916 High Similarity NPD5346 Phase 2
0.881 High Similarity NPD1090 Approved
0.881 High Similarity NPD1086 Approved
0.881 High Similarity NPD1089 Approved
0.8706 High Similarity NPD1239 Approved
0.8605 High Similarity NPD1088 Approved
0.8506 High Similarity NPD5122 Clinical (unspecified phase)
0.8452 Intermediate Similarity NPD1087 Approved
0.8409 Intermediate Similarity NPD688 Clinical (unspecified phase)
0.8409 Intermediate Similarity NPD1693 Approved
0.8315 Intermediate Similarity NPD5206 Clinical (unspecified phase)
0.8222 Intermediate Similarity NPD1565 Approved
0.8222 Intermediate Similarity NPD1566 Phase 3
0.8222 Intermediate Similarity NPD9566 Approved
0.8222 Intermediate Similarity NPD1564 Approved
0.8161 Intermediate Similarity NPD9256 Approved
0.8161 Intermediate Similarity NPD3673 Approved
0.8161 Intermediate Similarity NPD3672 Approved
0.8161 Intermediate Similarity NPD9258 Approved
0.8132 Intermediate Similarity NPD9495 Approved
0.8132 Intermediate Similarity NPD253 Approved
0.8043 Intermediate Similarity NPD3097 Clinical (unspecified phase)
0.8043 Intermediate Similarity NPD2066 Phase 3
0.7907 Intermediate Similarity NPD9259 Approved
0.7907 Intermediate Similarity NPD9257 Approved
0.7889 Intermediate Similarity NPD1563 Approved
0.7889 Intermediate Similarity NPD1066 Discontinued
0.7875 Intermediate Similarity NPD9716 Approved
0.7872 Intermediate Similarity NPD1932 Approved
0.7789 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7789 Intermediate Similarity NPD1929 Approved
0.7789 Intermediate Similarity NPD1930 Approved
0.7717 Intermediate Similarity NPD1989 Approved
0.7692 Intermediate Similarity NPD1202 Approved
0.7551 Intermediate Similarity NPD467 Phase 1
0.7526 Intermediate Similarity NPD5909 Discontinued
0.7474 Intermediate Similarity NPD7798 Approved
0.7423 Intermediate Similarity NPD5738 Clinical (unspecified phase)
0.7423 Intermediate Similarity NPD6647 Phase 2
0.7423 Intermediate Similarity NPD5765 Approved
0.7412 Intermediate Similarity NPD1507 Clinical (unspecified phase)
0.74 Intermediate Similarity NPD2329 Discontinued
0.74 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7356 Intermediate Similarity NPD3971 Phase 1
0.7327 Intermediate Similarity NPD1317 Discontinued
0.7327 Intermediate Similarity NPD5278 Discontinued
0.7326 Intermediate Similarity NPD942 Approved
0.7292 Intermediate Similarity NPD1067 Discontinued
0.7292 Intermediate Similarity NPD1238 Approved
0.7273 Intermediate Similarity NPD1040 Phase 2
0.7273 Intermediate Similarity NPD5048 Discontinued
0.7262 Intermediate Similarity NPD9294 Approved
0.7255 Intermediate Similarity NPD3642 Approved
0.7255 Intermediate Similarity NPD188 Approved
0.7255 Intermediate Similarity NPD3644 Approved
0.7255 Intermediate Similarity NPD3643 Approved
0.7255 Intermediate Similarity NPD189 Phase 3
0.7234 Intermediate Similarity NPD9260 Approved
0.72 Intermediate Similarity NPD6685 Approved
0.7191 Intermediate Similarity NPD5734 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD164 Approved
0.7172 Intermediate Similarity NPD1237 Approved
0.7115 Intermediate Similarity NPD181 Approved
0.71 Intermediate Similarity NPD1018 Approved
0.7059 Intermediate Similarity NPD476 Approved
0.7048 Intermediate Similarity NPD2652 Approved
0.7048 Intermediate Similarity NPD1280 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD2650 Approved
0.7048 Intermediate Similarity NPD3598 Phase 3
0.7033 Intermediate Similarity NPD650 Approved
0.7033 Intermediate Similarity NPD9538 Approved
0.7019 Intermediate Similarity NPD9508 Approved
0.6981 Remote Similarity NPD5951 Approved
0.6981 Remote Similarity NPD1246 Approved
0.6981 Remote Similarity NPD2629 Approved
0.6981 Remote Similarity NPD747 Discontinued
0.6961 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6961 Remote Similarity NPD9264 Approved
0.6961 Remote Similarity NPD9267 Approved
0.6961 Remote Similarity NPD9263 Approved
0.6957 Remote Similarity NPD531 Approved
0.6957 Remote Similarity NPD1101 Approved
0.6952 Remote Similarity NPD5277 Phase 2
0.6939 Remote Similarity NPD9712 Approved
0.6916 Remote Similarity NPD255 Approved
0.6916 Remote Similarity NPD1348 Approved
0.6916 Remote Similarity NPD256 Approved
0.6893 Remote Similarity NPD9266 Approved
0.6893 Remote Similarity NPD2182 Approved
0.6893 Remote Similarity NPD74 Approved
0.6882 Remote Similarity NPD689 Discontinued
0.6857 Remote Similarity NPD6912 Phase 3
0.6852 Remote Similarity NPD5162 Approved
0.6852 Remote Similarity NPD9568 Approved
0.6852 Remote Similarity NPD3797 Approved
0.6848 Remote Similarity NPD506 Clinical (unspecified phase)
0.6837 Remote Similarity NPD9710 Approved
0.6837 Remote Similarity NPD9711 Approved
0.6829 Remote Similarity NPD9497 Clinical (unspecified phase)
0.6827 Remote Similarity NPD3646 Clinical (unspecified phase)
0.6827 Remote Similarity NPD1752 Approved
0.6827 Remote Similarity NPD4234 Approved
0.6827 Remote Similarity NPD1756 Approved
0.6827 Remote Similarity NPD2067 Discontinued
0.6827 Remote Similarity NPD4233 Approved
0.6822 Remote Similarity NPD690 Clinical (unspecified phase)
0.6789 Remote Similarity NPD1758 Phase 1
0.6771 Remote Similarity NPD720 Approved
0.6771 Remote Similarity NPD719 Approved
0.6765 Remote Similarity NPD999 Phase 2
0.6762 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6762 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6737 Remote Similarity NPD7609 Phase 3
0.6737 Remote Similarity NPD530 Approved
0.6733 Remote Similarity NPD9261 Approved
0.6729 Remote Similarity NPD1681 Approved
0.6729 Remote Similarity NPD1682 Approved
0.6729 Remote Similarity NPD6010 Discontinued
0.6729 Remote Similarity NPD1680 Approved
0.6727 Remote Similarity NPD3798 Phase 3
0.6727 Remote Similarity NPD1759 Phase 1
0.6727 Remote Similarity NPD1894 Discontinued
0.6697 Remote Similarity NPD9493 Approved
0.6667 Remote Similarity NPD1282 Approved
0.6667 Remote Similarity NPD752 Approved
0.6667 Remote Similarity NPD1855 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4105 Approved
0.6667 Remote Similarity NPD6993 Approved
0.6667 Remote Similarity NPD5926 Approved
0.6667 Remote Similarity NPD1508 Approved
0.6667 Remote Similarity NPD7631 Approved
0.6667 Remote Similarity NPD4102 Approved
0.6667 Remote Similarity NPD1245 Approved
0.6667 Remote Similarity NPD6994 Approved
0.6667 Remote Similarity NPD5981 Approved
0.6667 Remote Similarity NPD4504 Clinical (unspecified phase)
0.6636 Remote Similarity NPD2607 Approved
0.6636 Remote Similarity NPD6858 Approved
0.6636 Remote Similarity NPD7094 Approved
0.6636 Remote Similarity NPD1279 Clinical (unspecified phase)
0.6625 Remote Similarity NPD675 Discontinued
0.6607 Remote Similarity NPD5306 Approved
0.6607 Remote Similarity NPD2345 Approved
0.6607 Remote Similarity NPD5305 Approved
0.6607 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6604 Remote Similarity NPD5927 Discontinued
0.6598 Remote Similarity NPD3719 Approved
0.6598 Remote Similarity NPD3718 Approved
0.6598 Remote Similarity NPD1409 Phase 3
0.6577 Remote Similarity NPD2617 Discontinued
0.6577 Remote Similarity NPD9545 Approved
0.6574 Remote Similarity NPD1370 Approved
0.6574 Remote Similarity NPD1371 Approved
0.6574 Remote Similarity NPD1373 Approved
0.6574 Remote Similarity NPD1374 Approved
0.6566 Remote Similarity NPD1875 Phase 1
0.6556 Remote Similarity NPD9250 Approved
0.6549 Remote Similarity NPD4106 Approved
0.6549 Remote Similarity NPD4135 Approved
0.6549 Remote Similarity NPD4136 Approved
0.6549 Remote Similarity NPD3881 Discontinued
0.6545 Remote Similarity NPD732 Approved
0.6545 Remote Similarity NPD733 Approved
0.6543 Remote Similarity NPD173 Clinical (unspecified phase)
0.6535 Remote Similarity NPD3135 Clinical (unspecified phase)
0.6531 Remote Similarity NPD6048 Clinical (unspecified phase)
0.6531 Remote Similarity NPD2933 Approved
0.6531 Remote Similarity NPD4814 Discontinued
0.6531 Remote Similarity NPD2934 Approved
0.6531 Remote Similarity NPD6049 Phase 2
0.6514 Remote Similarity NPD4766 Approved
0.6514 Remote Similarity NPD9281 Approved
0.6495 Remote Similarity NPD159 Clinical (unspecified phase)
0.6495 Remote Similarity NPD6690 Approved
0.6491 Remote Similarity NPD2612 Approved
0.6491 Remote Similarity NPD4807 Approved
0.6491 Remote Similarity NPD2608 Approved
0.6491 Remote Similarity NPD3603 Phase 3
0.6491 Remote Similarity NPD4216 Approved
0.6491 Remote Similarity NPD4215 Approved
0.6491 Remote Similarity NPD4218 Approved
0.6491 Remote Similarity NPD3132 Approved
0.6491 Remote Similarity NPD2610 Approved
0.6491 Remote Similarity NPD4217 Approved
0.6491 Remote Similarity NPD4761 Approved
0.6491 Remote Similarity NPD3131 Approved
0.6491 Remote Similarity NPD2609 Approved
0.6491 Remote Similarity NPD4806 Approved
0.6491 Remote Similarity NPD4762 Approved
0.6491 Remote Similarity NPD4706 Clinical (unspecified phase)
0.6491 Remote Similarity NPD2611 Approved
0.6491 Remote Similarity NPD1535 Discovery

Structure

External Identifiers

PubChem CID   107
ChEMBL   CHEMBL851
ZINC  

Physicochemical Properties

Molecular Weight:  150.07
ALogP:  -0.1426
MLogP:  2.23
XLogP:  3.649
# Rotatable Bonds:  4
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  11

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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