Natural Product: NPC10781

Natural Product ID:  NPC10781
Common Name:   L-Phenylalanine
IUPAC Name:   (2S)-2-azaniumyl-3-phenylpropanoate
Synonyms:   L-Phenylalanine; Phenylalanine
Molecular Formula:   C9H11NO2
Standard InCHIKey:  COLNVLDHVKWLRT-QMMMGPOBSA-N
Standard InCHI:  InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
Canonical SMILES:  N[C@H](C(=O)O)Cc1ccccc1
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
NPO328 Plastrum testudinis praparata NA NA NA TCMID*
NPO8101 Rehmannia glutinosa Species Orobanchaceae Eukaryota HerDing*
NPO10680 Cistanche deserticola Species Orobanchaceae Eukaryota TCMID*
NPO10355 Echinopsis macrogona Species Cactaceae Eukaryota UNPD*
NPO3912 Areca catechu Species Arecaceae Eukaryota TCMID*
NPO11481 Elephantopus angustifolius Species Asteraceae Eukaryota UNPD*
NPO16741 Codonopsis pilosula Species Campanulaceae Eukaryota TCMID*
NPO1625 Ovibos moschatus Species Bovidae Eukaryota UNPD*
NPO16309 Semen astragali complanati NA NA NA TCMID*
NPO23726 Canarium villosum Species Strombidae Eukaryota UNPD*
NPO9952 Isoplexis sceptrum Species Plantaginaceae Eukaryota UNPD*
NPO17349 Colla carapacis et plastri testudinis Species Bombycidae Eukaryota TCMID*
NPO20584 Cheilanthes fragrans Species Pteridaceae Eukaryota UNPD*
NPO27952 Rhizoma dioscoreae NA NA NA TCMSP*
NPO5939 Semen sojae praeparata NA NA NA TCMID*
NPO21600 Aconitum variegatum Species Ranunculaceae Eukaryota UNPD*
NPO2088 Bamusaeconcretiosilicea NA NA NA TCMSP*
NPO22659 Codonopsis subglobosa Species Campanulaceae Eukaryota TCMID*
NPO23586 Cineraria aspera Species Asteraceae Eukaryota UNPD*
NPO29577 Arecae semen NA NA NA TCMSP*
NPO2831 Cornu saigae tataricae NA NA NA TCMID*
NPO10680 Cistanche deserticola Species Orobanchaceae Eukaryota HerDing*
NPO2055 Berberis integerrima Species Berberidaceae Eukaryota UNPD*
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota TM-MC*
NPO19048 Pinellia ternata Species Araceae Eukaryota TCMID*
NPO15987 Plastrum testudinis NA NA NA HerDing*
NPO21344 Fadogia agrestis Species Rubiaceae Eukaryota UNPD*
NPO29007 Brassica juncea Species Brassicaceae Eukaryota TM-MC*
NPO16741.1 Codonopsis pilosula var. modesta Varieties Campanulaceae Eukaryota TCMID*
NPO16741 Codonopsis pilosula Species Campanulaceae Eukaryota HerDing*
NPO22500 Stephania dielsiana Species Menispermaceae Eukaryota UNPD*
NPO14964 Calvatia gigantea Species Lycoperdaceae Eukaryota TM-MC*
NPO26343 Fagopyrum esculentum Species Polygonaceae Eukaryota TCMID*
NPO16741.1 Codonopsis pilosula var. modesta Varieties Campanulaceae Eukaryota HerDing*
NPO1797 Homo sapiens Species Hominidae Eukaryota DOI[10.1038/nbt.2488]
NPO10434 Rhodospirillum rubrum Species Rhodospirillaceae Bacteria UNPD*
NPO17030 Calvatia lilacina Species Lycoperdaceae Eukaryota TM-MC*
NPO14959.1 Codonopsis pilosula subsp. tangshen Subspecies Campanulaceae Eukaryota TCMID*
NPO1797 Homo sapiens Species Hominidae Eukaryota blood serum PMID[25518943]
NPO13017 Sarcocephalus latifolius Species Rubiaceae Eukaryota UNPD*
NPO8881 Centipeda minima Species Asteraceae Eukaryota TM-MC*
NPO1797 Homo sapiens Species Hominidae Eukaryota breast milk PMID[24027187]
NPO3186 Loranthus parasiticus Species Loranthaceae Eukaryota UNPD*
NPO26293 Ginkgo biloba Species Ginkgoaceae Eukaryota TM-MC*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[23940645]
NPO8817 Herbertus sakuraii Species Herbertaceae Eukaryota UNPD*
NPO21845 Calvatia fenzlii Species Lycoperdaceae Eukaryota TM-MC*
NPO1797 Homo sapiens Species Hominidae Eukaryota cerebrospinal fluid PMID[12834252]
NPO21534 Ostrya carpinifolia Species Betulaceae Eukaryota UNPD*
NPO19048 Pinellia ternata Species Araceae Eukaryota TM-MC*
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[24023812]
NPO8146 Aniba megaphylla Species Lauraceae Eukaryota UNPD*
NPO784 Sinapis alba Species Brassicaceae Eukaryota TM-MC*
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[21359215]
NPO8063 Clerodendrum calamitosum Species Lamiaceae Eukaryota UNPD*
NPO1596 Taraxacum borealisinense Species Asteraceae Eukaryota TM-MC*
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[23857558]
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota UNPD*
NPO23327 Taraxacum coreanum Species Asteraceae Eukaryota TM-MC*
NPO19048 Pinellia ternata Species Araceae Eukaryota HerDing*
NPO4177 Libocedrus decurrens Species Cupressaceae Eukaryota UNPD*
NPO26785 Taraxacum mongolicum Species Asteraceae Eukaryota TM-MC*
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]
NPO5800 Radix salviae Species Lymnaeidae Eukaryota TCMSP*
NPO26622 Taraxacum officinale Species Asteraceae Eukaryota TM-MC*
NPO21658 Saccharomyces cerevisiae Species Saccharomycetaceae Eukaryota PMID[24733517]
NPO16497 Trichosanthes kirilowii maxim Species Cucurbitaceae Eukaryota TCMSP*
NPO13668 Taraxacum platycarpum Species Asteraceae Eukaryota TM-MC*
NPO21658 Saccharomyces cerevisiae Species Saccharomycetaceae Eukaryota PMID[24678285]
NPO22562 Atractylodes macrocephala koidz Species Asteraceae Eukaryota TCMSP*
NPO5986 Ziziphus jujuba Species Rhamnaceae Eukaryota TM-MC*
NPO22659 Codonopsis subglobosa Species Campanulaceae Eukaryota HerDing*
NPO12588 Cornus officinalis Species Cornaceae Eukaryota TCMSP*
NPO8101 Rehmannia glutinosa Species Orobanchaceae Eukaryota TCMID*
NPO23429 Lycium barbarum Species Solanaceae Eukaryota HerDing*
NPO17691 Santalum album Species Santalaceae Eukaryota TCMSP*
NPO13857 Mentha canadensis Species Lamiaceae Eukaryota TCMID*
NPO7611 Sclerotium poriae cocos Species Typhulaceae Eukaryota TCMID*
NPO29997 Colla carapacis Species Bombycidae Eukaryota HerDing*
NPO15987 Plastrum testudinis NA NA NA TCMID*
NPO30421 Codonopsis tangshen Species Campanulaceae Eukaryota HerDing*
NPO15147 Ficus simplicissima Species Moraceae Eukaryota TCMID*
NPO3912 Areca catechu Species Arecaceae Eukaryota HerDing*
NPO15173 Concha meretricis seu cyclinae NA NA NA TCMID*
NPO4011 Chlamydomonas reinhardtii Species Chlamydomonadaceae Eukaryota PMID[25515814]
NPO23429 Lycium barbarum Species Solanaceae Eukaryota TCMID*
NPO730 Escherichia coli Species Enterobacteriaceae Bacteria PMID[24966042]
NPO29390 Semen juglandis NA NA NA TCMID*
NPO730 Escherichia coli Species Enterobacteriaceae Bacteria PMID[21988831]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Ratio = 1.036 6094807
NPT2 Others Unspecified Ratio = 1.048 6094807
NPT2 Others Unspecified Ratio = 1.093 6094807
NPT2 Others Unspecified Ratio = 1.178 6094807
NPT2 Others Unspecified Ratio = 1.175 6094807
NPT605 Organism Homo sapiens Homo sapiens Activity = 1.036 3669005
NPT605 Organism Homo sapiens Homo sapiens Activity = 1.048 3669005
NPT605 Organism Homo sapiens Homo sapiens Activity = 1.093 3669005
NPT605 Organism Homo sapiens Homo sapiens Activity = 1.178 3669005
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens Activity = 160 % 12873510
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens Activity = 210 % 12873510
NPT1142 Individual Protein Voltage-gated calcium channel alpha2/delta subunit 1 Mus musculus Ki = 980 nM 16380257
NPT1142 Individual Protein Voltage-gated calcium channel alpha2/delta subunit 1 Mus musculus Ki = 977.24 nM 16380257
NPT530 Organism Caenorhabditis elegans Caenorhabditis elegans Activity = -1 % 18033297
NPT530 Organism Caenorhabditis elegans Caenorhabditis elegans Activity = -2 % 18033297
NPT1149 Individual Protein Phospholipase A-2-activating protein Homo sapiens IC50 > 5000 nM 20031422
NPT802 Individual Protein Alkaline phosphatase, tissue-nonspecific isozyme Homo sapiens IC50 > 5000 nM 20031422
NPT801 Individual Protein Intestinal alkaline phosphatase Homo sapiens IC50 > 5000 nM 20031422
NPT1152 Individual Protein L-type amino acid transporter 1 Rattus norvegicus Ki = 55000 nM 20466543
NPT108 Individual Protein Estrogen receptor alpha Homo sapiens Potency 11220.2 nM PubChem BioAssay data set
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens Potency 15.8 nM PubChem BioAssay data set
NPT249 Individual Protein Glucocorticoid receptor Homo sapiens Potency 15848.9 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 2393.4 nM PubChem BioAssay data set
NPT445 Individual Protein Peripheral myelin protein 22 Rattus norvegicus Potency 4547.9 nM PubChem BioAssay data set
NPT484 Individual Protein Luciferin 4-monooxygenase Photinus pyralis Potency 28695.4 nM PubChem BioAssay data set
NPT1153 Individual Protein Monocarboxylate transporter 10 Rattus norvegicus Activity = 40 % 11278508
NPT1153 Individual Protein Monocarboxylate transporter 10 Rattus norvegicus Activity = 50 % 11278508
NPT1104 Individual Protein SLC16A10 protein Homo sapiens Activity = 60 % 11827462
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 54482.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Inhibition = 80 % 23324083
NPT113 Cell Line RAW264.7 Mus musculus Activity = 80 % 23324083
NPT2 Others Unspecified Activity = 70 % 23324083
NPT2 Others Unspecified Inhibition = 54 % 23324083
NPT2 Others Unspecified Inhibition = 32 % 23324083
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC = 25000 nM 23324083
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 25000 nM 23324083
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis MIC = 13200 nM 23324083
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 11300 nM 23324083
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 6250 nM 23324083
NPT85 Organism Filobasidiella neoformans Cryptococcus neoformans MIC = 6100 nM 23324083
NPT173 Organism Klebsiella pneumoniae Klebsiella pneumoniae MIC = 6000 nM 23324083
NPT19 Organism Escherichia coli Escherichia coli MIC = 6000 nM 23324083
NPT20 Organism Candida albicans Candida albicans MIC = 3100 nM 23324083
NPT87 Organism Aspergillus fumigatus Aspergillus fumigatus MIC = 3000 nM 23324083
NPT330 Organism Trichophyton mentagrophytes Trichophyton mentagrophytes MIC = 3000 nM 23324083
NPT1155 Organism Sporothrix schenckii Sporothrix schenckii MIC = 3000 nM 23324083
NPT188 Organism Candida parapsilosis Candida parapsilosis MIC = 3000 nM 23324083
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 21689.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1000 nM PubChem BioAssay data set
NPT1156 Individual Protein Intestinal alkaline phosphatase Bos taurus IC50 = 80210 nM 25865133
NPT1157 Individual Protein L-type amino acid transporter 1 Homo sapiens Inhibition = 85 % 27106710
NPT1157 Individual Protein L-type amino acid transporter 1 Homo sapiens Activity = 3.6 fmol/min 27106710

  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 NPC10781 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 NPC293628
1.0 High Similarity NPC122493
0.978 High Similarity NPC324569
0.9278 High Similarity NPC67043
0.9271 High Similarity NPC164859
0.8958 High Similarity NPC12730
0.8824 High Similarity NPC319579
0.88 High Similarity NPC327481
0.8738 High Similarity NPC329011
0.8654 High Similarity NPC474584
0.8469 Intermediate Similarity NPC322598
0.8411 Intermediate Similarity NPC197470
0.8333 Intermediate Similarity NPC106551
0.8333 Intermediate Similarity NPC281686
0.8333 Intermediate Similarity NPC188867
0.8222 Intermediate Similarity NPC127343
0.8113 Intermediate Similarity NPC313981
0.8108 Intermediate Similarity NPC239697
0.8018 Intermediate Similarity NPC142638
0.8018 Intermediate Similarity NPC317784
0.7981 Intermediate Similarity NPC476198
0.7965 Intermediate Similarity NPC326079
0.7959 Intermediate Similarity NPC323164
0.7957 Intermediate Similarity NPC285773
0.7957 Intermediate Similarity NPC44830
0.7917 Intermediate Similarity NPC325441
0.7879 Intermediate Similarity NPC291070
0.7879 Intermediate Similarity NPC246757
0.7857 Intermediate Similarity NPC314992
0.7838 Intermediate Similarity NPC2265
0.7826 Intermediate Similarity NPC35996
0.7789 Intermediate Similarity NPC95965
0.7755 Intermediate Similarity NPC258627
0.7739 Intermediate Similarity NPC27581
0.7629 Intermediate Similarity NPC322387
0.7627 Intermediate Similarity NPC477937
0.7611 Intermediate Similarity NPC169328
0.7573 Intermediate Similarity NPC164514
0.7573 Intermediate Similarity NPC108606
0.7573 Intermediate Similarity NPC290515
0.7573 Intermediate Similarity NPC303611
0.7573 Intermediate Similarity NPC226096
0.7563 Intermediate Similarity NPC58827
0.7563 Intermediate Similarity NPC307437
0.7563 Intermediate Similarity NPC72473
0.7551 Intermediate Similarity NPC329064
0.7544 Intermediate Similarity NPC310467
0.75 Intermediate Similarity NPC16031
0.75 Intermediate Similarity NPC161593
0.75 Intermediate Similarity NPC145888
0.75 Intermediate Similarity NPC226438
0.7478 Intermediate Similarity NPC319950
0.7453 Intermediate Similarity NPC471317
0.7451 Intermediate Similarity NPC215351
0.7451 Intermediate Similarity NPC20142
0.7438 Intermediate Similarity NPC325651
0.7414 Intermediate Similarity NPC190663
0.7414 Intermediate Similarity NPC80150
0.74 Intermediate Similarity NPC70940
0.74 Intermediate Similarity NPC274455
0.74 Intermediate Similarity NPC86670
0.7396 Intermediate Similarity NPC288903
0.7363 Intermediate Similarity NPC122327
0.7363 Intermediate Similarity NPC113000
0.7363 Intermediate Similarity NPC112609
0.7327 Intermediate Similarity NPC317645
0.7317 Intermediate Similarity NPC48909
0.7288 Intermediate Similarity NPC142577
0.7288 Intermediate Similarity NPC160493
0.7282 Intermediate Similarity NPC161972
0.7282 Intermediate Similarity NPC303045
0.7265 Intermediate Similarity NPC478015
0.7265 Intermediate Similarity NPC478014
0.7265 Intermediate Similarity NPC478016
0.7258 Intermediate Similarity NPC88667
0.7257 Intermediate Similarity NPC35850
0.7257 Intermediate Similarity NPC276949
0.7245 Intermediate Similarity NPC294134
0.7241 Intermediate Similarity NPC237420
0.7228 Intermediate Similarity NPC316108
0.7222 Intermediate Similarity NPC229235
0.7222 Intermediate Similarity NPC150254
0.7222 Intermediate Similarity NPC147000
0.7222 Intermediate Similarity NPC304761
0.7222 Intermediate Similarity NPC226778
0.7212 Intermediate Similarity NPC25565
0.7212 Intermediate Similarity NPC3371
0.7203 Intermediate Similarity NPC56634
0.7203 Intermediate Similarity NPC71684
0.7193 Intermediate Similarity NPC33742
0.7157 Intermediate Similarity NPC110704
0.7157 Intermediate Similarity NPC86987
0.7143 Intermediate Similarity NPC475439
0.7143 Intermediate Similarity NPC473501
0.7143 Intermediate Similarity NPC314835
0.7143 Intermediate Similarity NPC311242
0.7143 Intermediate Similarity NPC155429
0.7128 Intermediate Similarity NPC290638
0.7128 Intermediate Similarity NPC325662
0.7128 Intermediate Similarity NPC98269
0.7115 Intermediate Similarity NPC172925
0.7107 Intermediate Similarity NPC4974
0.7107 Intermediate Similarity NPC47667
0.7091 Intermediate Similarity NPC274089
0.7091 Intermediate Similarity NPC191215
0.7083 Intermediate Similarity NPC309279
0.7083 Intermediate Similarity NPC192623
0.704 Intermediate Similarity NPC326966
0.7037 Intermediate Similarity NPC327226
0.7037 Intermediate Similarity NPC318154
0.7031 Intermediate Similarity NPC132636
0.703 Intermediate Similarity NPC477704
0.703 Intermediate Similarity NPC477693
0.7025 Intermediate Similarity NPC222466
0.6992 Remote Similarity NPC199738
0.6992 Remote Similarity NPC321561
0.6992 Remote Similarity NPC210950
0.6992 Remote Similarity NPC476353
0.6981 Remote Similarity NPC477767
0.6972 Remote Similarity NPC202613
0.6967 Remote Similarity NPC101719
0.6961 Remote Similarity NPC470877
0.6961 Remote Similarity NPC9822
0.6939 Remote Similarity NPC323103
0.6935 Remote Similarity NPC311753
0.6935 Remote Similarity NPC296712
0.6931 Remote Similarity NPC471638
0.6923 Remote Similarity NPC282087
0.6923 Remote Similarity NPC14672
0.6923 Remote Similarity NPC259800
0.6923 Remote Similarity NPC318028
0.6923 Remote Similarity NPC328137
0.6923 Remote Similarity NPC318984
0.6923 Remote Similarity NPC285926
0.6923 Remote Similarity NPC241086
0.6923 Remote Similarity NPC315276
0.6923 Remote Similarity NPC317741
0.6916 Remote Similarity NPC229242
0.6916 Remote Similarity NPC160548
0.6916 Remote Similarity NPC271475
0.6916 Remote Similarity NPC175852
0.6916 Remote Similarity NPC210529
0.6915 Remote Similarity NPC276699
0.6907 Remote Similarity NPC121800
0.6903 Remote Similarity NPC158854
0.6899 Remote Similarity NPC287358
0.6893 Remote Similarity NPC78041
0.6893 Remote Similarity NPC62765
0.6893 Remote Similarity NPC141139
0.6893 Remote Similarity NPC209764
0.6893 Remote Similarity NPC121872
0.6893 Remote Similarity NPC471307
0.6893 Remote Similarity NPC84288
0.6893 Remote Similarity NPC74936
0.6893 Remote Similarity NPC159178
0.688 Remote Similarity NPC478147
0.687 Remote Similarity NPC57976
0.6869 Remote Similarity NPC270507
0.6864 Remote Similarity NPC470545
0.686 Remote Similarity NPC84281
0.686 Remote Similarity NPC317474
0.686 Remote Similarity NPC291027
0.686 Remote Similarity NPC169485
0.686 Remote Similarity NPC213126
0.6852 Remote Similarity NPC125732
0.6852 Remote Similarity NPC217621
0.6852 Remote Similarity NPC245561
0.6842 Remote Similarity NPC139658
0.6838 Remote Similarity NPC188010
0.6833 Remote Similarity NPC45777
0.6833 Remote Similarity NPC477061
0.6829 Remote Similarity NPC474847
0.6827 Remote Similarity NPC141607
0.6827 Remote Similarity NPC187725
0.6822 Remote Similarity NPC472788
0.6822 Remote Similarity NPC253423
0.6818 Remote Similarity NPC68055
0.6818 Remote Similarity NPC66518
0.6807 Remote Similarity NPC470546
0.6807 Remote Similarity NPC229353
0.6804 Remote Similarity NPC170484
0.68 Remote Similarity NPC111428
0.6794 Remote Similarity NPC326860
0.6794 Remote Similarity NPC197239
0.6792 Remote Similarity NPC58674
0.6789 Remote Similarity NPC52472
0.6789 Remote Similarity NPC214200
0.6789 Remote Similarity NPC136810
0.6789 Remote Similarity NPC128248
0.6789 Remote Similarity NPC133809
0.6789 Remote Similarity NPC264728
0.6789 Remote Similarity NPC228400
0.6789 Remote Similarity NPC225079
0.6789 Remote Similarity NPC94487
0.678 Remote Similarity NPC470544
0.6774 Remote Similarity NPC208302
0.6774 Remote Similarity NPC74458
0.6772 Remote Similarity NPC45191
0.6772 Remote Similarity NPC246913
0.6768 Remote Similarity NPC103387

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC10781 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
1.0 High Similarity NPD9566 Approved
0.9053 High Similarity NPD253 Approved
0.8411 Intermediate Similarity NPD1348 Approved
0.8333 Intermediate Similarity NPD9568 Approved
0.8318 Intermediate Similarity NPD747 Discontinued
0.8155 Intermediate Similarity NPD1040 Phase 2
0.8132 Intermediate Similarity NPD226 Approved
0.8113 Intermediate Similarity NPD3643 Approved
0.8113 Intermediate Similarity NPD3642 Approved
0.8113 Intermediate Similarity NPD189 Phase 3
0.8113 Intermediate Similarity NPD3644 Approved
0.8113 Intermediate Similarity NPD188 Approved
0.8108 Intermediate Similarity NPD4504 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD5162 Approved
0.7965 Intermediate Similarity NPD3881 Discontinued
0.7957 Intermediate Similarity NPD9491 Approved
0.7857 Intermediate Similarity NPD2217 Approved
0.7857 Intermediate Similarity NPD2218 Phase 2
0.7826 Intermediate Similarity NPD3880 Clinical (unspecified phase)
0.7802 Intermediate Similarity NPD225 Approved
0.7802 Intermediate Similarity NPD227 Approved
0.7778 Intermediate Similarity NPD1812 Approved
0.7778 Intermediate Similarity NPD1814 Approved
0.7748 Intermediate Similarity NPD255 Approved
0.7748 Intermediate Similarity NPD256 Approved
0.7739 Intermediate Similarity NPD4761 Approved
0.7739 Intermediate Similarity NPD4762 Approved
0.7739 Intermediate Similarity NPD4706 Clinical (unspecified phase)
0.7727 Intermediate Similarity NPD1374 Approved
0.7727 Intermediate Similarity NPD1371 Approved
0.7727 Intermediate Similarity NPD1370 Approved
0.7727 Intermediate Similarity NPD1373 Approved
0.7706 Intermediate Similarity NPD9508 Approved
0.7692 Intermediate Similarity NPD196 Phase 1
0.7672 Intermediate Similarity NPD3073 Approved
0.7672 Intermediate Similarity NPD3071 Approved
0.7672 Intermediate Similarity NPD3072 Approved
0.7652 Intermediate Similarity NPD2956 Clinical (unspecified phase)
0.7629 Intermediate Similarity NPD4793 Discontinued
0.7607 Intermediate Similarity NPD4677 Discontinued
0.7607 Intermediate Similarity NPD182 Clinical (unspecified phase)
0.7573 Intermediate Similarity NPD9609 Approved
0.7573 Intermediate Similarity NPD9612 Approved
0.7573 Intermediate Similarity NPD9611 Approved
0.7527 Intermediate Similarity NPD9490 Approved
0.75 Intermediate Similarity NPD9569 Approved
0.75 Intermediate Similarity NPD7828 Discontinued
0.7475 Intermediate Similarity NPD800 Approved
0.7475 Intermediate Similarity NPD5346 Phase 2
0.7475 Intermediate Similarity NPD5347 Phase 2
0.7431 Intermediate Similarity NPD476 Approved
0.7417 Intermediate Similarity NPD4151 Approved
0.74 Intermediate Similarity NPD1090 Approved
0.74 Intermediate Similarity NPD1086 Approved
0.74 Intermediate Similarity NPD1089 Approved
0.7377 Intermediate Similarity NPD1070 Approved
0.7377 Intermediate Similarity NPD1069 Approved
0.7363 Intermediate Similarity NPD9593 Approved
0.7363 Intermediate Similarity NPD9589 Approved
0.7363 Intermediate Similarity NPD9592 Approved
0.7363 Intermediate Similarity NPD9588 Approved
0.7363 Intermediate Similarity NPD9594 Approved
0.7363 Intermediate Similarity NPD80 Approved
0.7363 Intermediate Similarity NPD9591 Approved
0.7363 Intermediate Similarity NPD9590 Approved
0.7355 Intermediate Similarity NPD3040 Approved
0.7355 Intermediate Similarity NPD4177 Approved
0.7355 Intermediate Similarity NPD4175 Approved
0.7353 Intermediate Similarity NPD1066 Discontinued
0.7333 Intermediate Similarity NPD6302 Clinical (unspecified phase)
0.7327 Intermediate Similarity NPD1239 Approved
0.7317 Intermediate Similarity NPD5581 Approved
0.7315 Intermediate Similarity NPD999 Phase 2
0.7295 Intermediate Similarity NPD4676 Approved
0.7295 Intermediate Similarity NPD5263 Approved
0.7258 Intermediate Similarity NPD259 Phase 1
0.7255 Intermediate Similarity NPD1088 Approved
0.725 Intermediate Similarity NPD5367 Discontinued
0.7241 Intermediate Similarity NPD6093 Discontinued
0.7236 Intermediate Similarity NPD9718 Approved
0.7236 Intermediate Similarity NPD9536 Phase 1
0.7236 Intermediate Similarity NPD9537 Phase 1
0.7222 Intermediate Similarity NPD315 Approved
0.7222 Intermediate Similarity NPD309 Approved
0.7222 Intermediate Similarity NPD314 Approved
0.7222 Intermediate Similarity NPD310 Approved
0.7222 Intermediate Similarity NPD311 Approved
0.7222 Intermediate Similarity NPD10 Approved
0.719 Intermediate Similarity NPD3606 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD3719 Approved
0.7184 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD3718 Approved
0.7179 Intermediate Similarity NPD5981 Approved
0.7168 Intermediate Similarity NPD181 Approved
0.7168 Intermediate Similarity NPD2607 Approved
0.7143 Intermediate Similarity NPD555 Phase 2
0.7115 Intermediate Similarity NPD688 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD1693 Approved
0.7105 Intermediate Similarity NPD3598 Phase 3
0.71 Intermediate Similarity NPD1087 Approved
0.7097 Intermediate Similarity NPD3136 Phase 2
0.7091 Intermediate Similarity NPD467 Phase 1
0.7087 Intermediate Similarity NPD6690 Approved
0.7064 Intermediate Similarity NPD9610 Approved
0.7064 Intermediate Similarity NPD9608 Approved
0.7063 Intermediate Similarity NPD4153 Approved
0.7063 Intermediate Similarity NPD6623 Phase 3
0.7063 Intermediate Similarity NPD5296 Approved
0.7053 Intermediate Similarity NPD9564 Approved
0.7053 Intermediate Similarity NPD296 Approved
0.7053 Intermediate Similarity NPD9563 Approved
0.7053 Intermediate Similarity NPD295 Approved
0.7053 Intermediate Similarity NPD293 Approved
0.7053 Intermediate Similarity NPD79 Approved
0.7048 Intermediate Similarity NPD5206 Clinical (unspecified phase)
0.704 Intermediate Similarity NPD5299 Approved
0.7031 Intermediate Similarity NPD1536 Approved
0.7031 Intermediate Similarity NPD6852 Discontinued
0.7031 Intermediate Similarity NPD6295 Approved
0.7031 Intermediate Similarity NPD6294 Approved
0.7009 Intermediate Similarity NPD1067 Discontinued
0.7009 Intermediate Similarity NPD9712 Approved
0.7 Intermediate Similarity NPD1018 Approved
0.6992 Remote Similarity NPD257 Approved
0.6992 Remote Similarity NPD258 Approved
0.6981 Remote Similarity NPD1099 Approved
0.6981 Remote Similarity NPD1566 Phase 3
0.6981 Remote Similarity NPD1100 Approved
0.6981 Remote Similarity NPD1564 Approved
0.6981 Remote Similarity NPD1565 Approved
0.6977 Remote Similarity NPD6864 Phase 2
0.6977 Remote Similarity NPD6865 Phase 2
0.6957 Remote Similarity NPD2652 Approved
0.6957 Remote Similarity NPD2650 Approved
0.6953 Remote Similarity NPD3528 Clinical (unspecified phase)
0.6953 Remote Similarity NPD6073 Approved
0.6953 Remote Similarity NPD5725 Approved
0.6949 Remote Similarity NPD4479 Discontinued
0.6944 Remote Similarity NPD4760 Clinical (unspecified phase)
0.6942 Remote Similarity NPD2584 Suspended
0.6942 Remote Similarity NPD5108 Clinical (unspecified phase)
0.6929 Remote Similarity NPD5323 Approved
0.6923 Remote Similarity NPD1537 Approved
0.6923 Remote Similarity NPD9570 Approved
0.6923 Remote Similarity NPD1538 Phase 1
0.6923 Remote Similarity NPD1519 Approved
0.6916 Remote Similarity NPD9711 Approved
0.6916 Remote Similarity NPD9710 Approved
0.6916 Remote Similarity NPD9495 Approved
0.6903 Remote Similarity NPD1756 Approved
0.6903 Remote Similarity NPD1752 Approved
0.6899 Remote Similarity NPD4126 Approved
0.6899 Remote Similarity NPD1520 Approved
0.6899 Remote Similarity NPD1521 Approved
0.6893 Remote Similarity NPD3673 Approved
0.6893 Remote Similarity NPD9256 Approved
0.6893 Remote Similarity NPD3672 Approved
0.6893 Remote Similarity NPD9258 Approved
0.688 Remote Similarity NPD6359 Clinical (unspecified phase)
0.688 Remote Similarity NPD4125 Approved
0.688 Remote Similarity NPD1974 Clinical (unspecified phase)
0.6875 Remote Similarity NPD1071 Clinical (unspecified phase)
0.6875 Remote Similarity NPD3908 Approved
0.6864 Remote Similarity NPD1758 Phase 1
0.686 Remote Similarity NPD4216 Approved
0.686 Remote Similarity NPD3132 Approved
0.686 Remote Similarity NPD4218 Approved
0.686 Remote Similarity NPD2611 Approved
0.686 Remote Similarity NPD2612 Approved
0.686 Remote Similarity NPD2609 Approved
0.686 Remote Similarity NPD3131 Approved
0.686 Remote Similarity NPD4215 Approved
0.686 Remote Similarity NPD4217 Approved
0.686 Remote Similarity NPD2608 Approved
0.686 Remote Similarity NPD2610 Approved
0.6855 Remote Similarity NPD5339 Clinical (unspecified phase)
0.6855 Remote Similarity NPD3608 Clinical (unspecified phase)
0.6852 Remote Similarity NPD2066 Phase 3
0.6852 Remote Similarity NPD3097 Clinical (unspecified phase)
0.6838 Remote Similarity NPD7508 Discontinued
0.6829 Remote Similarity NPD2198 Approved
0.6829 Remote Similarity NPD2199 Approved
0.6825 Remote Similarity NPD4794 Discontinued
0.6825 Remote Similarity NPD4738 Phase 2
0.6825 Remote Similarity NPD6919 Clinical (unspecified phase)
0.6822 Remote Similarity NPD528 Clinical (unspecified phase)
0.6818 Remote Similarity NPD168 Phase 1
0.6818 Remote Similarity NPD167 Phase 2
0.681 Remote Similarity NPD1681 Approved
0.681 Remote Similarity NPD1680 Approved
0.681 Remote Similarity NPD1682 Approved
0.6807 Remote Similarity NPD1759 Phase 1
0.6803 Remote Similarity NPD1360 Approved
0.6803 Remote Similarity NPD1077 Clinical (unspecified phase)
0.68 Remote Similarity NPD5759 Approved
0.6794 Remote Similarity NPD1522 Approved
0.6794 Remote Similarity NPD1523 Approved
0.678 Remote Similarity NPD732 Approved
0.678 Remote Similarity NPD733 Approved
0.6774 Remote Similarity NPD292 Approved

Structure

External Identifiers

PubChem CID   6925665;6140
ChEMBL   CHEMBL301523
ZINC  

Physicochemical Properties

Molecular Weight:  165.08
ALogP:  -1.0844
MLogP:  2.12
XLogP:  0.441
# Rotatable Bonds:  5
Polar Surface Area:  63.32
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  12

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