Natural Product: NPC52472

Natural Product ID:  NPC52472
Common Name:   2-(4-Hydroxyphenyl)Acetic Acid
IUPAC Name:   2-(4-hydroxyphenyl)acetic acid
Synonyms:   2-(4-Hydroxyphenyl)Acetic Acid
Molecular Formula:   C8H8O3
Standard InCHIKey:  XQXPVVBIMDBYFF-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
Canonical SMILES:  OC(=O)Cc1ccc(cc1)O
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
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva DOI[10.1007/s11306-012-0464-y]
NPO1797 Homo sapiens Species Hominidae Eukaryota PMID[7126379]
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[19812218]
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[20809621]
NPO1797 Homo sapiens Species Hominidae Eukaryota cerebrospinal fluid PMID[7126379]
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[24023812]
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]
NPO30270 Cordyceps sinensis Species Cordycipitaceae Eukaryota mycelium PMID[21848266]
NPO26800 Dysidea pallescens Species Dysideidae Eukaryota UNPD*
NPO30470 Stachylidium Genus Plectosphaerellaceae Eukaryota PMID[21162532]
NPO21471.1 Boeremia exigua var. heteromorpha Varieties Didymellaceae Eukaryota UNPD*
NPO6947 Astilbe chinensis Species Saxifragaceae Eukaryota HerDing*
NPO25552 Manica bradleyi Species Formicidae Eukaryota UNPD*
NPO6956 Citrus limonia Species Rutaceae Eukaryota TCM_Taiwan*
NPO26061 Sassafras randaiense Species Lauraceae Eukaryota UNPD*
NPO29584 Forsythiae fructus NA NA NA TCMSP*
NPO15115 Ailanthus excelsa Species Simaroubaceae Eukaryota UNPD*
NPO29625 Inulae herba NA NA NA TCMSP*
NPO10696 Arisaema decipiens Species Araceae Eukaryota UNPD*
NPO24089 Alcea rosea Species Malvaceae Eukaryota TM-MC*
NPO21387 Forsythia suspensa Species Oleaceae Eukaryota TM-MC*
NPO24065 Dracaena surculosa Species Teiidae Eukaryota UNPD*
NPO19805 Forsythia viridissima Species Oleaceae Eukaryota TM-MC*
NPO15842 Grammitis argyrata Species Polypodiaceae Eukaryota UNPD*
NPO6947 Astilbe chinensis Species Saxifragaceae Eukaryota TCMID*
NPO19849 Melilotus officinalis Species Fabaceae Eukaryota UNPD*
NPO26366 Actaea pachypoda Species Ranunculaceae Eukaryota UNPD*
NPO22543 Cleome chrysantha Species Cleomaceae Eukaryota UNPD*
NPO15009 Euphorbia lagascae Species Euphorbiaceae Eukaryota UNPD*
NPO15213 Kinostemon alborubrum Species Lamiaceae Eukaryota UNPD*
NPO7717 Poria juniperina Species Coccinellidae Eukaryota UNPD*
NPO25618 Eriobotrya japonica Species Rosaceae Eukaryota UNPD*
NPO25982 Spicaria divaricata NA NA NA UNPD*
NPO26949 Myrica pilulifera Species Myricaceae Eukaryota UNPD*
NPO25425 Rubus saxatilis Species Rosaceae Eukaryota UNPD*
NPO15562 Ellisiophyllum pinnatum Species Plantaginaceae Eukaryota UNPD*
NPO23703 Libocedrus chevalieri Species Cupressaceae Eukaryota UNPD*
NPO26140 Ichthyothere connata Species Asteraceae Eukaryota UNPD*
NPO20026 Senecio callosus Species Asteraceae Eukaryota UNPD*
NPO21977 Psora corallina Species Psoraceae Eukaryota UNPD*
NPO13956 Coptotermes formosanus Species Termitoidae Eukaryota UNPD*
NPO26719 Tetrapanax papyrifer Species Araliaceae Eukaryota UNPD*
NPO16076 Penicillium chrysogenum Species Aspergillaceae Eukaryota mycelium PMID[21381678]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT3155 Individual Protein PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) Mycobacterium tuberculosis Ki = 11400 nM 21332115
NPT3156 Individual Protein Uncharacterized protein Rv1284/MT1322 Mycobacterium tuberculosis Ki = 10800 nM 21332115
NPT1148 Individual Protein Carbonic anhydrase Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast) Ki = 1020 nM 21332115
NPT3157 Individual Protein Carbonic anhydrase 2 Cryptococcus neoformans var. grubii Ki = 900 nM 21332115
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens Ki = 309000 nM 21332115
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens Ki = 10300 nM 21332115
NPT2 Others Unspecified Ratio Ki = 27.1 21332115
NPT2 Others Unspecified Ratio Ki = 28.6 21332115
NPT2 Others Unspecified Ratio Ki = 302.9 21332115
NPT2 Others Unspecified Ratio Ki = 343.3 21332115
NPT2 Others Unspecified Ratio Ki = 0.9 21332115
NPT2 Others Unspecified Ratio Ki = 1 21332115
NPT2 Others Unspecified Ratio Ki = 10.1 21332115
NPT2 Others Unspecified Ratio Ki = 11.4 21332115
NPT8 Individual Protein DNA polymerase iota Homo sapiens Potency 89125.1 nM PubChem BioAssay data set
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 2818.4 nM PubChem BioAssay data set
NPT667 Individual Protein Solute carrier family 22 member 8 Rattus norvegicus Activity = 29.7 % 11967025

  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 NPC52472 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
0.9892 High Similarity NPC245561
0.9588 High Similarity NPC13495
0.9474 High Similarity NPC280869
0.9381 High Similarity NPC13426
0.9368 High Similarity NPC260000
0.9109 High Similarity NPC31274
0.91 High Similarity NPC317592
0.902 High Similarity NPC326187
0.8942 High Similarity NPC17693
0.8932 High Similarity NPC222084
0.89 High Similarity NPC261573
0.89 High Similarity NPC120693
0.89 High Similarity NPC8931
0.8854 High Similarity NPC32977
0.8854 High Similarity NPC81010
0.8835 High Similarity NPC234639
0.8824 High Similarity NPC226699
0.8824 High Similarity NPC29883
0.8762 High Similarity NPC48525
0.8725 High Similarity NPC29989
0.8725 High Similarity NPC184658
0.8725 High Similarity NPC95178
0.8725 High Similarity NPC69332
0.8725 High Similarity NPC70843
0.8725 High Similarity NPC6984
0.8725 High Similarity NPC188677
0.8692 High Similarity NPC4665
0.8679 High Similarity NPC309808
0.8679 High Similarity NPC148969
0.8654 High Similarity NPC95172
0.8641 High Similarity NPC228737
0.8617 High Similarity NPC23167
0.8614 High Similarity NPC470202
0.8611 High Similarity NPC128249
0.8602 High Similarity NPC175313
0.8598 High Similarity NPC221870
0.8571 High Similarity NPC246679
0.8571 High Similarity NPC21162
0.8558 High Similarity NPC17525
0.8558 High Similarity NPC317305
0.8544 High Similarity NPC187913
0.8544 High Similarity NPC1065
0.8542 High Similarity NPC300017
0.8526 High Similarity NPC113460
0.8526 High Similarity NPC25493
0.8511 High Similarity NPC197783
0.8505 High Similarity NPC109241
0.85 High Similarity NPC171843
0.8495 Intermediate Similarity NPC265146
0.8491 Intermediate Similarity NPC212718
0.8491 Intermediate Similarity NPC114682
0.8476 Intermediate Similarity NPC88141
0.8462 Intermediate Similarity NPC141523
0.8462 Intermediate Similarity NPC34715
0.8455 Intermediate Similarity NPC311091
0.8455 Intermediate Similarity NPC328694
0.8455 Intermediate Similarity NPC471033
0.8455 Intermediate Similarity NPC273282
0.8455 Intermediate Similarity NPC474890
0.8455 Intermediate Similarity NPC161943
0.8454 Intermediate Similarity NPC45040
0.8447 Intermediate Similarity NPC303141
0.844 Intermediate Similarity NPC131192
0.844 Intermediate Similarity NPC471924
0.844 Intermediate Similarity NPC106551
0.844 Intermediate Similarity NPC188867
0.844 Intermediate Similarity NPC281686
0.844 Intermediate Similarity NPC471925
0.844 Intermediate Similarity NPC471928
0.8438 Intermediate Similarity NPC258219
0.8438 Intermediate Similarity NPC318325
0.8438 Intermediate Similarity NPC123273
0.8438 Intermediate Similarity NPC177420
0.8438 Intermediate Similarity NPC242240
0.8438 Intermediate Similarity NPC280347
0.8416 Intermediate Similarity NPC253746
0.8404 Intermediate Similarity NPC248817
0.8396 Intermediate Similarity NPC116842
0.8396 Intermediate Similarity NPC252544
0.8396 Intermediate Similarity NPC321252
0.8384 Intermediate Similarity NPC257182
0.8381 Intermediate Similarity NPC224584
0.8381 Intermediate Similarity NPC100551
0.8367 Intermediate Similarity NPC138117
0.8367 Intermediate Similarity NPC181709
0.8367 Intermediate Similarity NPC325292
0.8364 Intermediate Similarity NPC471926
0.8351 Intermediate Similarity NPC55561
0.8333 Intermediate Similarity NPC472585
0.8333 Intermediate Similarity NPC104216
0.8333 Intermediate Similarity NPC11824
0.8333 Intermediate Similarity NPC242136
0.8318 Intermediate Similarity NPC177576
0.8318 Intermediate Similarity NPC268388
0.8316 Intermediate Similarity NPC155393
0.8298 Intermediate Similarity NPC124436
0.8288 Intermediate Similarity NPC27633
0.8288 Intermediate Similarity NPC94298
0.8288 Intermediate Similarity NPC63126
0.8288 Intermediate Similarity NPC104514
0.8283 Intermediate Similarity NPC128062
0.8283 Intermediate Similarity NPC151715
0.828 Intermediate Similarity NPC285773
0.8273 Intermediate Similarity NPC83718
0.8269 Intermediate Similarity NPC219913
0.8269 Intermediate Similarity NPC243677
0.8265 Intermediate Similarity NPC304541
0.8257 Intermediate Similarity NPC81808
0.8252 Intermediate Similarity NPC304638
0.8241 Intermediate Similarity NPC286222
0.8241 Intermediate Similarity NPC231717
0.8229 Intermediate Similarity NPC307235
0.8229 Intermediate Similarity NPC407
0.8229 Intermediate Similarity NPC184169
0.8218 Intermediate Similarity NPC210529
0.8218 Intermediate Similarity NPC160548
0.8218 Intermediate Similarity NPC140619
0.8218 Intermediate Similarity NPC175852
0.8214 Intermediate Similarity NPC42657
0.8214 Intermediate Similarity NPC319950
0.8214 Intermediate Similarity NPC239697
0.82 Intermediate Similarity NPC26244
0.82 Intermediate Similarity NPC286006
0.82 Intermediate Similarity NPC274678
0.82 Intermediate Similarity NPC313650
0.8198 Intermediate Similarity NPC160199
0.8198 Intermediate Similarity NPC125252
0.8182 Intermediate Similarity NPC322197
0.8182 Intermediate Similarity NPC51345
0.8173 Intermediate Similarity NPC38209
0.8165 Intermediate Similarity NPC211421
0.8163 Intermediate Similarity NPC300478
0.8158 Intermediate Similarity NPC198336
0.8148 Intermediate Similarity NPC228609
0.8144 Intermediate Similarity NPC27974
0.8131 Intermediate Similarity NPC259554
0.8131 Intermediate Similarity NPC75272
0.8131 Intermediate Similarity NPC79543
0.8131 Intermediate Similarity NPC471954
0.8119 Intermediate Similarity NPC473388
0.8108 Intermediate Similarity NPC128825
0.81 Intermediate Similarity NPC27323
0.81 Intermediate Similarity NPC316301
0.8095 Intermediate Similarity NPC127676
0.8091 Intermediate Similarity NPC285350
0.8087 Intermediate Similarity NPC67300
0.8087 Intermediate Similarity NPC68167
0.8087 Intermediate Similarity NPC283514
0.8081 Intermediate Similarity NPC270547
0.8081 Intermediate Similarity NPC155908
0.8081 Intermediate Similarity NPC204210
0.8077 Intermediate Similarity NPC68269
0.8077 Intermediate Similarity NPC135784
0.8077 Intermediate Similarity NPC298224
0.807 Intermediate Similarity NPC241001
0.807 Intermediate Similarity NPC164852
0.8061 Intermediate Similarity NPC98772
0.8061 Intermediate Similarity NPC62765
0.8056 Intermediate Similarity NPC183700
0.8056 Intermediate Similarity NPC63345
0.8056 Intermediate Similarity NPC222905
0.8053 Intermediate Similarity NPC233165
0.8053 Intermediate Similarity NPC61779
0.8053 Intermediate Similarity NPC184579
0.8039 Intermediate Similarity NPC107619
0.8039 Intermediate Similarity NPC229242
0.8039 Intermediate Similarity NPC109955
0.8039 Intermediate Similarity NPC201967
0.8037 Intermediate Similarity NPC470039
0.8037 Intermediate Similarity NPC206341
0.8036 Intermediate Similarity NPC76308
0.8036 Intermediate Similarity NPC150919
0.8036 Intermediate Similarity NPC325295
0.8021 Intermediate Similarity NPC286904
0.802 Intermediate Similarity NPC8392
0.8019 Intermediate Similarity NPC1786
0.8019 Intermediate Similarity NPC294902
0.8019 Intermediate Similarity NPC1075
0.8018 Intermediate Similarity NPC23402
0.8018 Intermediate Similarity NPC322358
0.8017 Intermediate Similarity NPC174991
0.8 Intermediate Similarity NPC472271
0.8 Intermediate Similarity NPC142577
0.8 Intermediate Similarity NPC177291
0.8 Intermediate Similarity NPC194416
0.8 Intermediate Similarity NPC93831
0.8 Intermediate Similarity NPC27581
0.8 Intermediate Similarity NPC223004
0.8 Intermediate Similarity NPC322332
0.7982 Intermediate Similarity NPC478121
0.7982 Intermediate Similarity NPC180207
0.7981 Intermediate Similarity NPC25458
0.7981 Intermediate Similarity NPC94343
0.798 Intermediate Similarity NPC192
0.7965 Intermediate Similarity NPC184527
0.7965 Intermediate Similarity NPC317784
0.7965 Intermediate Similarity NPC249435
0.7965 Intermediate Similarity NPC142638
0.7965 Intermediate Similarity NPC241089
0.7965 Intermediate Similarity NPC94637

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC52472 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
0.8824 High Similarity NPD9265 Clinical (unspecified phase)
0.8519 High Similarity NPD256 Approved
0.8519 High Similarity NPD255 Approved
0.844 Intermediate Similarity NPD9568 Approved
0.8381 Intermediate Similarity NPD9266 Approved
0.8381 Intermediate Similarity NPD74 Approved
0.8298 Intermediate Similarity NPD111 Approved
0.8288 Intermediate Similarity NPD9545 Approved
0.8286 Intermediate Similarity NPD9267 Approved
0.8286 Intermediate Similarity NPD9263 Approved
0.8286 Intermediate Similarity NPD9264 Approved
0.8283 Intermediate Similarity NPD2933 Approved
0.8283 Intermediate Similarity NPD2934 Approved
0.828 Intermediate Similarity NPD9491 Approved
0.8218 Intermediate Similarity NPD9495 Approved
0.82 Intermediate Similarity NPD2859 Approved
0.82 Intermediate Similarity NPD2860 Approved
0.8108 Intermediate Similarity NPD9493 Approved
0.81 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.8087 Intermediate Similarity NPD1481 Phase 2
0.8061 Intermediate Similarity NPD9256 Approved
0.8061 Intermediate Similarity NPD9258 Approved
0.8 Intermediate Similarity NPD1535 Discovery
0.7965 Intermediate Similarity NPD1759 Phase 1
0.7961 Intermediate Similarity NPD3020 Approved
0.7905 Intermediate Similarity NPD9261 Approved
0.7881 Intermediate Similarity NPD1164 Approved
0.7876 Intermediate Similarity NPD1758 Phase 1
0.7872 Intermediate Similarity NPD226 Approved
0.7849 Intermediate Similarity NPD9490 Approved
0.781 Intermediate Similarity NPD846 Approved
0.781 Intermediate Similarity NPD940 Approved
0.7807 Intermediate Similarity NPD1894 Discontinued
0.7778 Intermediate Similarity NPD800 Approved
0.7768 Intermediate Similarity NPD9281 Approved
0.77 Intermediate Similarity NPD1086 Approved
0.77 Intermediate Similarity NPD1089 Approved
0.77 Intermediate Similarity NPD1090 Approved
0.7672 Intermediate Similarity NPD3019 Approved
0.7672 Intermediate Similarity NPD2932 Approved
0.767 Intermediate Similarity NPD1809 Phase 2
0.767 Intermediate Similarity NPD844 Approved
0.7667 Intermediate Similarity NPD258 Approved
0.7667 Intermediate Similarity NPD257 Approved
0.7653 Intermediate Similarity NPD9259 Approved
0.7653 Intermediate Similarity NPD9257 Approved
0.7647 Intermediate Similarity NPD1283 Approved
0.7647 Intermediate Similarity NPD845 Approved
0.7632 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7624 Intermediate Similarity NPD1239 Approved
0.7603 Intermediate Similarity NPD9569 Approved
0.7596 Intermediate Similarity NPD288 Approved
0.7586 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7573 Intermediate Similarity NPD1693 Approved
0.7561 Intermediate Similarity NPD3764 Approved
0.7553 Intermediate Similarity NPD225 Approved
0.7553 Intermediate Similarity NPD227 Approved
0.7549 Intermediate Similarity NPD1088 Approved
0.7547 Intermediate Similarity NPD1242 Phase 1
0.7547 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7522 Intermediate Similarity NPD1241 Discontinued
0.75 Intermediate Similarity NPD9610 Approved
0.75 Intermediate Similarity NPD196 Phase 1
0.75 Intermediate Similarity NPD9608 Approved
0.7479 Intermediate Similarity NPD9717 Approved
0.7479 Intermediate Similarity NPD1608 Approved
0.7479 Intermediate Similarity NPD9269 Phase 2
0.7476 Intermediate Similarity NPD1202 Approved
0.7459 Intermediate Similarity NPD454 Approved
0.7458 Intermediate Similarity NPD3847 Discontinued
0.7438 Intermediate Similarity NPD1203 Approved
0.7436 Intermediate Similarity NPD9268 Approved
0.7404 Intermediate Similarity NPD688 Clinical (unspecified phase)
0.74 Intermediate Similarity NPD1087 Approved
0.74 Intermediate Similarity NPD4793 Discontinued
0.7395 Intermediate Similarity NPD1281 Approved
0.7395 Intermediate Similarity NPD1201 Approved
0.7387 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.736 Intermediate Similarity NPD6663 Approved
0.736 Intermediate Similarity NPD259 Phase 1
0.7339 Intermediate Similarity NPD1237 Approved
0.7339 Intermediate Similarity NPD9536 Phase 1
0.7339 Intermediate Similarity NPD9537 Phase 1
0.7321 Intermediate Similarity NPD3022 Approved
0.7321 Intermediate Similarity NPD3021 Approved
0.7321 Intermediate Similarity NPD9380 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD5736 Approved
0.7312 Intermediate Similarity NPD9087 Approved
0.7302 Intermediate Similarity NPD825 Approved
0.7302 Intermediate Similarity NPD826 Approved
0.7295 Intermediate Similarity NPD2797 Approved
0.729 Intermediate Similarity NPD2066 Phase 3
0.7273 Intermediate Similarity NPD1755 Approved
0.7264 Intermediate Similarity NPD1564 Approved
0.7264 Intermediate Similarity NPD1565 Approved
0.7264 Intermediate Similarity NPD1566 Phase 3
0.7258 Intermediate Similarity NPD2614 Approved
0.7255 Intermediate Similarity NPD5346 Phase 2
0.7255 Intermediate Similarity NPD5347 Phase 2
0.725 Intermediate Similarity NPD422 Phase 1
0.7244 Intermediate Similarity NPD555 Phase 2
0.7244 Intermediate Similarity NPD275 Approved
0.7244 Intermediate Similarity NPD274 Approved
0.7227 Intermediate Similarity NPD17 Approved
0.7222 Intermediate Similarity NPD3028 Approved
0.7207 Intermediate Similarity NPD3134 Approved
0.72 Intermediate Similarity NPD9718 Approved
0.72 Intermediate Similarity NPD3136 Phase 2
0.7196 Intermediate Similarity NPD9273 Approved
0.7193 Intermediate Similarity NPD228 Approved
0.7188 Intermediate Similarity NPD9088 Approved
0.7155 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7155 Intermediate Similarity NPD2629 Approved
0.7154 Intermediate Similarity NPD2935 Discontinued
0.7154 Intermediate Similarity NPD1470 Approved
0.7143 Intermediate Similarity NPD1358 Approved
0.7143 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD6798 Discontinued
0.713 Intermediate Similarity NPD9377 Approved
0.713 Intermediate Similarity NPD1238 Approved
0.713 Intermediate Similarity NPD9379 Approved
0.713 Intermediate Similarity NPD5535 Approved
0.7109 Intermediate Similarity NPD230 Phase 1
0.7091 Intermediate Similarity NPD1929 Approved
0.7091 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD1930 Approved
0.7087 Intermediate Similarity NPD6233 Phase 2
0.7087 Intermediate Similarity NPD4062 Phase 3
0.7087 Intermediate Similarity NPD520 Approved
0.7083 Intermediate Similarity NPD9294 Approved
0.7083 Intermediate Similarity NPD1778 Approved
0.7083 Intermediate Similarity NPD4626 Approved
0.7075 Intermediate Similarity NPD9260 Approved
0.7069 Intermediate Similarity NPD2228 Approved
0.7069 Intermediate Similarity NPD2229 Approved
0.7069 Intermediate Similarity NPD2234 Approved
0.7054 Intermediate Similarity NPD1445 Approved
0.7054 Intermediate Similarity NPD1444 Approved
0.7054 Intermediate Similarity NPD968 Approved
0.7043 Intermediate Similarity NPD9508 Approved
0.704 Intermediate Similarity NPD9494 Approved
0.7031 Intermediate Similarity NPD943 Approved
0.7031 Intermediate Similarity NPD1240 Approved
0.7027 Intermediate Similarity NPD5909 Discontinued
0.7027 Intermediate Similarity NPD164 Approved
0.7025 Intermediate Similarity NPD3023 Approved
0.7025 Intermediate Similarity NPD3026 Approved
0.7023 Intermediate Similarity NPD1537 Approved
0.7023 Intermediate Similarity NPD5406 Approved
0.7023 Intermediate Similarity NPD5405 Approved
0.7023 Intermediate Similarity NPD5408 Approved
0.7023 Intermediate Similarity NPD1538 Phase 1
0.7023 Intermediate Similarity NPD9570 Approved
0.7023 Intermediate Similarity NPD1519 Approved
0.7023 Intermediate Similarity NPD5404 Approved
0.7009 Intermediate Similarity NPD5951 Approved
0.7008 Intermediate Similarity NPD3268 Approved
0.7 Intermediate Similarity NPD1651 Approved
0.7 Intermediate Similarity NPD3024 Approved
0.7 Intermediate Similarity NPD3025 Approved
0.6983 Remote Similarity NPD5277 Phase 2
0.6981 Remote Similarity NPD1563 Approved
0.6977 Remote Similarity NPD6355 Discontinued
0.6964 Remote Similarity NPD9697 Approved
0.6953 Remote Similarity NPD5729 Clinical (unspecified phase)
0.6947 Remote Similarity NPD2799 Discontinued
0.694 Remote Similarity NPD3750 Approved
0.6937 Remote Similarity NPD5738 Clinical (unspecified phase)
0.6935 Remote Similarity NPD3225 Approved
0.693 Remote Similarity NPD2684 Approved
0.6923 Remote Similarity NPD1607 Approved
0.6917 Remote Similarity NPD970 Clinical (unspecified phase)
0.6911 Remote Similarity NPD3972 Approved
0.69 Remote Similarity NPD9089 Approved
0.6897 Remote Similarity NPD6124 Clinical (unspecified phase)
0.6894 Remote Similarity NPD4476 Approved
0.6894 Remote Similarity NPD1522 Approved
0.6894 Remote Similarity NPD4477 Approved
0.6894 Remote Similarity NPD1523 Approved
0.688 Remote Similarity NPD987 Approved
0.6875 Remote Similarity NPD411 Approved
0.6875 Remote Similarity NPD9716 Approved
0.6875 Remote Similarity NPD2313 Discontinued
0.687 Remote Similarity NPD1536 Approved
0.687 Remote Similarity NPD1792 Phase 2
0.687 Remote Similarity NPD4750 Phase 3
0.6866 Remote Similarity NPD2976 Clinical (unspecified phase)
0.6866 Remote Similarity NPD7421 Clinical (unspecified phase)
0.686 Remote Similarity NPD4102 Approved
0.686 Remote Similarity NPD4105 Approved
0.6852 Remote Similarity NPD1989 Approved
0.6852 Remote Similarity NPD5206 Clinical (unspecified phase)
0.6847 Remote Similarity NPD1932 Approved
0.6846 Remote Similarity NPD447 Suspended
0.6846 Remote Similarity NPD1184 Approved
0.6842 Remote Similarity NPD2342 Discontinued
0.6838 Remote Similarity NPD821 Approved
0.6833 Remote Similarity NPD16 Approved
0.6833 Remote Similarity NPD317 Approved

Structure

External Identifiers

PubChem CID   127
ChEMBL   CHEMBL1772
ZINC  

Physicochemical Properties

Molecular Weight:  152.05
ALogP:  -0.6653
MLogP:  2.01
XLogP:  1.062
# Rotatable Bonds:  4
Polar Surface Area:  57.53
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  11

Download Data

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Structure MOL file  
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Biological Activities  
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