Natural Product: NPC140840

Natural Product ID:  NPC140840
Common Name:   Sulfuretin
IUPAC Name:   (2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
Synonyms:   Sulfuretin
Molecular Formula:   C15H10O5
Standard InCHIKey:  RGNXWPVNPFAADO-NSIKDUERSA-N
Standard InCHI:  InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
Canonical SMILES:  Oc1ccc2c(c1)O/C(=Cc1ccc(c(c1)O)O)/C2=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
NPO4916 Toxicodendron vernicifluum Species Anacardiaceae Eukaryota TM-MC*
NPO5140 Dipteryx odorata Species Fabaceae Eukaryota Seeds PMID[12762787]
NPO24559 Cotinus coggygria Species Anacardiaceae Eukaryota Whole plant PMID[11141121]
NPO20782 Philodendron hederaceum Species Araceae Eukaryota UNPD*
NPO17550 Origanum onites Species Lamiaceae Eukaryota UNPD*
NPO20623 Dendrobium farmeri Species Orchidaceae Eukaryota UNPD*
NPO19860 Jasminum sambac Species Oleaceae Eukaryota UNPD*
NPO19597 Populus sieboldi Species Salicaceae Eukaryota UNPD*
NPO19470 Xanthorrhoea minor Species Asphodelaceae Eukaryota UNPD*
NPO18625 Chlorocodon whitei NA NA NA UNPD*
NPO18385 Rabdosia parvifolia Species Lamiaceae Eukaryota UNPD*
NPO12181 Albizia julibrissin Species Fabaceae Eukaryota TM-MC*
NPO18117 Dalbergia odorifera Species Fabaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT440 Individual Protein Quinone oxidoreductase Mus musculus CD = 20.7 nM 12762787
NPT2 Others Unspecified IC50 = 78500 nM 12762787
NPT2 Others Unspecified Ratio = 3.8 12762787
NPT2 Others Unspecified Inhibition = 58.5 % 12762787
NPT1 Others Radical scavenging activity IC50 = 16.1 ug/ml 11141121
NPT493 Individual Protein Neuraminidase Influenza A virus IC50 = 29600 nM 18640042
NPT493 Individual Protein Neuraminidase Influenza A virus IC50 = 51200 nM 18640042
NPT493 Individual Protein Neuraminidase Influenza A virus IC50 = 36200 nM 18640042
NPT616 Cell Line MDCK Canis lupus familiaris CC50 = 27440 nM 18640042
NPT742 Organism Influenza A virus Influenza A virus IC50 > 9150 nM 18640042
NPT1602 Individual Protein Neuraminidase Influenza A virus (A/Puerto Rico/8/1934(H1N1)) IC50 = 8 ug/ml 20116898
NPT197 Protein-Protein Interaction Menin/Histone-lysine N-methyltransferase MLL Homo sapiens Potency = 25118.9 nM PubChem BioAssay data set
NPT47 Individual Protein ATP-dependent DNA helicase Q1 Homo sapiens Potency = 25118.9 nM PubChem BioAssay data set
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT1038 Individual Protein Histone-lysine N-methyltransferase MLL Homo sapiens Potency = 89125.1 nM PubChem BioAssay data set
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT536 Uncleic Acid microRNA 21 Homo sapiens Potency = 8260.4 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 17782.8 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 14125.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 29092.9 nM PubChem BioAssay data set
NPT3 Individual Protein Thioredoxin glutathione reductase Schistosoma mansoni Potency = 50118.7 nM PubChem BioAssay data set
NPT53 Individual Protein 4'-phosphopantetheinyl transferase ffp Bacillus subtilis Potency = 56234.1 nM PubChem BioAssay data set
NPT442 Individual Protein Ferritin light chain Equus caballus Potency = 35481.3 nM PubChem BioAssay data set
NPT57 Individual Protein Induced myeloid leukemia cell differentiation protein Mcl-1 Homo sapiens IC50 = 1534.63 nM PubChem BioAssay data set
NPT538 Individual Protein Niemann-Pick C1 protein Homo sapiens Potency = 5623.4 nM PubChem BioAssay data set
NPT60 Individual Protein Lysosomal alpha-glucosidase Homo sapiens Potency = 22387.2 nM PubChem BioAssay data set
NPT4624 Individual Protein Relaxin receptor 2 Homo sapiens Potency 43620.6 nM PubChem BioAssay data set
NPT62 Individual Protein 6-phospho-1-fructokinase Trypanosoma brucei Potency 6012 nM PubChem BioAssay data set
NPT62 Individual Protein 6-phospho-1-fructokinase Trypanosoma brucei Potency 13459.1 nM PubChem BioAssay data set
NPT799 Individual Protein Intestinal alkaline phosphatase Mus musculus IC50 = 19700 nM PubChem BioAssay data set
NPT2944 Individual Protein Relaxin receptor 1 Homo sapiens Potency 48943.1 nM PubChem BioAssay data set
NPT798 Individual Protein Alkaline phosphatase placental-like Homo sapiens IC50 = 67200 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 14575 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 6309.6 nM PubChem BioAssay data set
NPT63 Individual Protein Bromodomain adjacent to zinc finger domain protein 2B Homo sapiens Potency 56234.1 nM PubChem BioAssay data set
NPT4625 Individual Protein Vasopressin V1b receptor Homo sapiens Potency 43620.6 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 11577.4 nM PubChem BioAssay data set
NPT62 Individual Protein 6-phospho-1-fructokinase Trypanosoma brucei Potency 3793.3 nM PubChem BioAssay data set
NPT802 Individual Protein Alkaline phosphatase, tissue-nonspecific isozyme Homo sapiens IC50 = 52900 nM PubChem BioAssay data set
NPT801 Individual Protein Intestinal alkaline phosphatase Homo sapiens IC50 = 66300 nM PubChem BioAssay data set
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 28970 nM 21723122
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 5900 nM 21723122
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 80680 nM 21723122
NPT47 Individual Protein ATP-dependent DNA helicase Q1 Homo sapiens Potency 56234.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 39810.7 nM PubChem BioAssay data set
NPT803 Individual Protein Flap endonuclease 1 Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT8 Individual Protein DNA polymerase iota Homo sapiens Potency 14125.4 nM PubChem BioAssay data set
NPT9 Individual Protein DNA polymerase eta Homo sapiens Potency 19952.6 nM PubChem BioAssay data set
NPT84 Individual Protein Dual specificity tyrosine-phosphorylation-regulated kinase 1A Rattus norvegicus AC50 = 2320 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10000 nM PubChem BioAssay data set
NPT199 Individual Protein DNA polymerase kappa Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 8912.5 nM PubChem BioAssay data set
NPT484 Individual Protein Luciferin 4-monooxygenase Photinus pyralis Potency 15101.4 nM PubChem BioAssay data set
NPT2534 Individual Protein Thrombin Bos taurus IC50 = 21700 nM PubChem BioAssay data set
NPT4626 Individual Protein Multidrug resistance protein CDR2 Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast) EC50 424 nM PubChem BioAssay data set
NPT2971 Individual Protein DNA dC->dU-editing enzyme APOBEC-3F Homo sapiens Potency 14125.4 nM PubChem BioAssay data set
NPT4627 Individual Protein 26S proteasome non-ATPase regulatory subunit 14 Homo sapiens IC50 = 23800 nM PubChem BioAssay data set
NPT568 Individual Protein Matrix metalloproteinase-2 Homo sapiens IC50 > 100000 nM PubChem BioAssay data set
NPT1852 Individual Protein Rac GTPase-activating protein 1 Homo sapiens IC50 20560 nM PubChem BioAssay data set
NPT477 Individual Protein DNA dC->dU-editing enzyme APOBEC-3G Homo sapiens Potency 25118.9 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 28220 nM PubChem BioAssay data set
NPT100 Individual Protein Glutaminase kidney isoform, mitochondrial Homo sapiens Potency 8912.5 nM PubChem BioAssay data set
NPT101 Individual Protein Glucagon-like peptide 1 receptor Homo sapiens Potency 2238.7 nM PubChem BioAssay data set
NPT157 Individual Protein Breast cancer type 1 susceptibility protein Homo sapiens Potency 6309.6 nM PubChem BioAssay data set
NPT821 Individual Protein Werner syndrome ATP-dependent helicase Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT11 Individual Protein Guanine nucleotide-binding protein G(s), subunit alpha Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT755 Individual Protein Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Homo sapiens Potency 89125.1 nM PubChem BioAssay data set
NPT1853 Individual Protein Putative uncharacterized protein Trypanosoma brucei brucei (strain 927/4 GUTat10.1) Potency 31622.8 nM PubChem BioAssay data set
NPT1417 Individual Protein Transcriptional regulator ERG Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Inhibition = 24.44 % 23062825
NPT67 Individual Protein Cholinesterase Equus caballus Inhibition = -2.22 % 23062825
NPT2 Others Unspecified Potency 23109.3 nM PubChem BioAssay data set
NPT1509 Protein Complex Cyclin-dependent kinase 5/CDK5 activator 1 Homo sapiens IC50 = 37030 nM 23927974
NPT2 Others Unspecified Potency 3548.1 nM PubChem BioAssay data set
NPT535 Individual Protein Parathyroid hormone receptor Homo sapiens Potency 125892.5 nM PubChem BioAssay data set
NPT9 Individual Protein DNA polymerase eta Homo sapiens Potency 33807.8 nM PubChem BioAssay data set
NPT105 Individual Protein Muscleblind-like protein 1 Homo sapiens Potency 17782.8 nM PubChem BioAssay data set
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency 22387.2 nM PubChem BioAssay data set
NPT8 Individual Protein DNA polymerase iota Homo sapiens Potency 23778.1 nM PubChem BioAssay data set
NPT446 Individual Protein Rap guanine nucleotide exchange factor 3 Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT441 Individual Protein Cytochrome P450 19A1 Homo sapiens Activity = 99 % 24630560
NPT3902 Individual Protein Acetylcholinesterase Mus musculus IC50 = 698880 nM 25468034
NPT113 Cell Line RAW264.7 Mus musculus Inhibition = 81.3 % 26238320

  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 NPC140840 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 NPC86847
0.9929 High Similarity NPC19545
0.979 High Similarity NPC260582
0.9655 High Similarity NPC304954
0.9589 High Similarity NPC189130
0.958 High Similarity NPC74881
0.958 High Similarity NPC51443
0.951 High Similarity NPC20791
0.951 High Similarity NPC179271
0.9452 High Similarity NPC260895
0.9441 High Similarity NPC70136
0.9384 High Similarity NPC149127
0.9384 High Similarity NPC286342
0.9384 High Similarity NPC188871
0.9375 High Similarity NPC169749
0.9371 High Similarity NPC279121
0.9357 High Similarity NPC254841
0.9333 High Similarity NPC195832
0.9329 High Similarity NPC472461
0.9315 High Similarity NPC270465
0.9315 High Similarity NPC87125
0.9315 High Similarity NPC195351
0.931 High Similarity NPC168803
0.931 High Similarity NPC95864
0.9301 High Similarity NPC175013
0.9257 High Similarity NPC55205
0.9257 High Similarity NPC82325
0.9257 High Similarity NPC279989
0.9252 High Similarity NPC77858
0.9247 High Similarity NPC196277
0.9247 High Similarity NPC272721
0.9247 High Similarity NPC12367
0.9247 High Similarity NPC118726
0.9247 High Similarity NPC43669
0.9231 High Similarity NPC284556
0.9231 High Similarity NPC301178
0.9211 High Similarity NPC231758
0.92 High Similarity NPC265511
0.9195 High Similarity NPC246328
0.9195 High Similarity NPC325028
0.9195 High Similarity NPC179126
0.9195 High Similarity NPC256346
0.9195 High Similarity NPC141212
0.9195 High Similarity NPC27532
0.9195 High Similarity NPC270620
0.9195 High Similarity NPC236223
0.9195 High Similarity NPC78326
0.9189 High Similarity NPC54394
0.9189 High Similarity NPC225731
0.9189 High Similarity NPC252933
0.9189 High Similarity NPC125062
0.9189 High Similarity NPC200740
0.9184 High Similarity NPC1612
0.9184 High Similarity NPC183959
0.9184 High Similarity NPC105512
0.9178 High Similarity NPC239312
0.9178 High Similarity NPC130230
0.9178 High Similarity NPC77378
0.9178 High Similarity NPC275772
0.9178 High Similarity NPC108406
0.9167 High Similarity NPC471417
0.9167 High Similarity NPC287722
0.915 High Similarity NPC272722
0.9133 High Similarity NPC80534
0.9133 High Similarity NPC133392
0.9133 High Similarity NPC214138
0.9133 High Similarity NPC56786
0.9128 High Similarity NPC36835
0.9128 High Similarity NPC240476
0.9128 High Similarity NPC9743
0.9128 High Similarity NPC246162
0.9128 High Similarity NPC27208
0.9128 High Similarity NPC123886
0.9128 High Similarity NPC125300
0.9128 High Similarity NPC63187
0.9128 High Similarity NPC61506
0.9128 High Similarity NPC37684
0.9128 High Similarity NPC157784
0.9128 High Similarity NPC260491
0.9122 High Similarity NPC29231
0.9122 High Similarity NPC45873
0.9116 High Similarity NPC119059
0.9116 High Similarity NPC194856
0.9116 High Similarity NPC3036
0.9116 High Similarity NPC321011
0.9116 High Similarity NPC276930
0.9116 High Similarity NPC294852
0.9116 High Similarity NPC188679
0.9103 High Similarity NPC242893
0.9103 High Similarity NPC38065
0.9091 High Similarity NPC39305
0.9091 High Similarity NPC1706
0.9091 High Similarity NPC59295
0.9091 High Similarity NPC472582
0.9091 High Similarity NPC263092
0.9091 High Similarity NPC1755
0.9073 High Similarity NPC245546
0.9073 High Similarity NPC153512
0.9073 High Similarity NPC471500
0.9073 High Similarity NPC266960
0.9073 High Similarity NPC43243
0.9073 High Similarity NPC474638
0.9067 High Similarity NPC58382
0.9067 High Similarity NPC162351
0.906 High Similarity NPC154345
0.906 High Similarity NPC31363
0.906 High Similarity NPC28274
0.906 High Similarity NPC205046
0.906 High Similarity NPC59162
0.906 High Similarity NPC236769
0.906 High Similarity NPC133953
0.906 High Similarity NPC251110
0.906 High Similarity NPC50403
0.906 High Similarity NPC304295
0.9054 High Similarity NPC259713
0.9054 High Similarity NPC296197
0.9054 High Similarity NPC137062
0.9054 High Similarity NPC287101
0.9054 High Similarity NPC52005
0.9054 High Similarity NPC183950
0.9054 High Similarity NPC216318
0.9054 High Similarity NPC159103
0.9054 High Similarity NPC17286
0.9054 High Similarity NPC223579
0.9048 High Similarity NPC207729
0.9048 High Similarity NPC117463
0.9034 High Similarity NPC471520
0.9034 High Similarity NPC254659
0.9032 High Similarity NPC36320
0.9026 High Similarity NPC238995
0.902 High Similarity NPC269906
0.9013 High Similarity NPC101830
0.9013 High Similarity NPC203891
0.9013 High Similarity NPC471479
0.9013 High Similarity NPC287979
0.9013 High Similarity NPC52530
0.9013 High Similarity NPC163524
0.9013 High Similarity NPC67876
0.9013 High Similarity NPC305663
0.9013 High Similarity NPC110070
0.9013 High Similarity NPC471515
0.9013 High Similarity NPC176665
0.9007 High Similarity NPC26227
0.9007 High Similarity NPC44079
0.9007 High Similarity NPC201451
0.9 High Similarity NPC60972
0.9 High Similarity NPC39732
0.9 High Similarity NPC257648
0.9 High Similarity NPC19721
0.9 High Similarity NPC28103
0.9 High Similarity NPC477231
0.8993 High Similarity NPC62042
0.8993 High Similarity NPC3825
0.8993 High Similarity NPC166753
0.8993 High Similarity NPC248102
0.8993 High Similarity NPC184136
0.8993 High Similarity NPC88804
0.8993 High Similarity NPC61620
0.8993 High Similarity NPC50728
0.8986 High Similarity NPC120464
0.8973 High Similarity NPC59551
0.8973 High Similarity NPC142165
0.8966 High Similarity NPC310128
0.8954 High Similarity NPC19687
0.8954 High Similarity NPC115798
0.8954 High Similarity NPC204854
0.8954 High Similarity NPC4481
0.8954 High Similarity NPC143828
0.8954 High Similarity NPC25495
0.8954 High Similarity NPC18772
0.8954 High Similarity NPC7846
0.8954 High Similarity NPC55738
0.8954 High Similarity NPC16935
0.8954 High Similarity NPC105242
0.8954 High Similarity NPC18607
0.8954 High Similarity NPC130894
0.8954 High Similarity NPC300943
0.8954 High Similarity NPC176300
0.8954 High Similarity NPC191459
0.8954 High Similarity NPC253634
0.8954 High Similarity NPC261004
0.8954 High Similarity NPC193842
0.8954 High Similarity NPC22472
0.8954 High Similarity NPC288669
0.8954 High Similarity NPC152166
0.8954 High Similarity NPC9609
0.8951 High Similarity NPC299379
0.8947 High Similarity NPC3980
0.8947 High Similarity NPC201837
0.8947 High Similarity NPC49824
0.8947 High Similarity NPC247017
0.8947 High Similarity NPC13858
0.8947 High Similarity NPC55619
0.8947 High Similarity NPC320825
0.8947 High Similarity NPC100916
0.8947 High Similarity NPC326037
0.8947 High Similarity NPC200388
0.8947 High Similarity NPC292107
0.8947 High Similarity NPC98661
0.894 High Similarity NPC292214

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC140840 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
0.951 High Similarity NPD1512 Approved
0.9459 High Similarity NPD3882 Suspended
0.9371 High Similarity NPD1511 Approved
0.8874 High Similarity NPD1934 Approved
0.8816 High Similarity NPD2393 Clinical (unspecified phase)
0.8816 High Similarity NPD2801 Approved
0.8662 High Similarity NPD943 Approved
0.8636 High Similarity NPD3817 Phase 2
0.863 High Similarity NPD1549 Phase 2
0.8591 High Similarity NPD6799 Approved
0.8562 High Similarity NPD3818 Discontinued
0.8562 High Similarity NPD1550 Clinical (unspecified phase)
0.8562 High Similarity NPD1552 Clinical (unspecified phase)
0.8553 High Similarity NPD6168 Clinical (unspecified phase)
0.8553 High Similarity NPD6167 Clinical (unspecified phase)
0.8553 High Similarity NPD6166 Phase 2
0.8552 High Similarity NPD1510 Phase 2
0.8533 High Similarity NPD4378 Clinical (unspecified phase)
0.8531 High Similarity NPD1240 Approved
0.8414 Intermediate Similarity NPD1607 Approved
0.8408 Intermediate Similarity NPD7075 Discontinued
0.8405 Intermediate Similarity NPD6797 Phase 2
0.8354 Intermediate Similarity NPD919 Approved
0.8354 Intermediate Similarity NPD7251 Discontinued
0.8333 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8303 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8299 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.8258 Intermediate Similarity NPD6599 Discontinued
0.825 Intermediate Similarity NPD1247 Approved
0.8228 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8193 Intermediate Similarity NPD7808 Phase 3
0.8171 Intermediate Similarity NPD7054 Approved
0.817 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8153 Intermediate Similarity NPD6801 Discontinued
0.8148 Intermediate Similarity NPD3926 Phase 2
0.8141 Intermediate Similarity NPD4380 Phase 2
0.8133 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.8121 Intermediate Similarity NPD7074 Phase 3
0.8121 Intermediate Similarity NPD7472 Approved
0.8121 Intermediate Similarity NPD1551 Phase 2
0.8121 Intermediate Similarity NPD2796 Approved
0.8101 Intermediate Similarity NPD1465 Phase 2
0.8075 Intermediate Similarity NPD5494 Approved
0.8065 Intermediate Similarity NPD5403 Approved
0.8063 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8063 Intermediate Similarity NPD3749 Approved
0.8052 Intermediate Similarity NPD5401 Approved
0.805 Intermediate Similarity NPD5402 Approved
0.8026 Intermediate Similarity NPD3750 Approved
0.8 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7987 Intermediate Similarity NPD7819 Suspended
0.7973 Intermediate Similarity NPD230 Phase 1
0.7964 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7961 Intermediate Similarity NPD1243 Approved
0.7961 Intermediate Similarity NPD2800 Approved
0.7947 Intermediate Similarity NPD2344 Approved
0.7931 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7917 Intermediate Similarity NPD1203 Approved
0.7862 Intermediate Similarity NPD7411 Suspended
0.7852 Intermediate Similarity NPD447 Suspended
0.7844 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7826 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7806 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7785 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7785 Intermediate Similarity NPD1613 Approved
0.7758 Intermediate Similarity NPD6232 Discontinued
0.7742 Intermediate Similarity NPD2309 Approved
0.7725 Intermediate Similarity NPD7473 Discontinued
0.7722 Intermediate Similarity NPD920 Approved
0.7722 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7707 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7706 Intermediate Similarity NPD6559 Discontinued
0.7697 Intermediate Similarity NPD3748 Approved
0.7651 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7647 Intermediate Similarity NPD2935 Discontinued
0.7605 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7597 Intermediate Similarity NPD1471 Phase 3
0.7595 Intermediate Similarity NPD2533 Approved
0.7595 Intermediate Similarity NPD2534 Approved
0.7595 Intermediate Similarity NPD2532 Approved
0.759 Intermediate Similarity NPD6959 Discontinued
0.7586 Intermediate Similarity NPD9269 Phase 2
0.7586 Intermediate Similarity NPD9717 Approved
0.7582 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7574 Intermediate Similarity NPD3751 Discontinued
0.7568 Intermediate Similarity NPD9494 Approved
0.7564 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7561 Intermediate Similarity NPD7768 Phase 2
0.756 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7529 Intermediate Similarity NPD5844 Phase 1
0.7516 Intermediate Similarity NPD6190 Approved
0.75 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD2799 Discontinued
0.7452 Intermediate Similarity NPD4628 Phase 3
0.7421 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD6100 Approved
0.7419 Intermediate Similarity NPD6099 Approved
0.7417 Intermediate Similarity NPD2313 Discontinued
0.7417 Intermediate Similarity NPD411 Approved
0.7415 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD3226 Approved
0.7397 Intermediate Similarity NPD422 Phase 1
0.7397 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7386 Intermediate Similarity NPD1933 Approved
0.7381 Intermediate Similarity NPD7199 Phase 2
0.7361 Intermediate Similarity NPD1548 Phase 1
0.7356 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7351 Intermediate Similarity NPD3027 Phase 3
0.7347 Intermediate Similarity NPD1608 Approved
0.7341 Intermediate Similarity NPD5953 Discontinued
0.7338 Intermediate Similarity NPD6651 Approved
0.7337 Intermediate Similarity NPD3787 Discontinued
0.731 Intermediate Similarity NPD9268 Approved
0.7296 Intermediate Similarity NPD2354 Approved
0.7285 Intermediate Similarity NPD6832 Phase 2
0.7279 Intermediate Similarity NPD1610 Phase 2
0.7278 Intermediate Similarity NPD2654 Approved
0.7273 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7261 Intermediate Similarity NPD2346 Discontinued
0.7251 Intermediate Similarity NPD2403 Approved
0.7239 Intermediate Similarity NPD1653 Approved
0.7233 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7225 Intermediate Similarity NPD7286 Phase 2
0.72 Intermediate Similarity NPD1470 Approved
0.719 Intermediate Similarity NPD3764 Approved
0.7186 Intermediate Similarity NPD2296 Approved
0.7168 Intermediate Similarity NPD2163 Approved
0.7162 Intermediate Similarity NPD1201 Approved
0.7161 Intermediate Similarity NPD6355 Discontinued
0.716 Intermediate Similarity NPD6234 Discontinued
0.7158 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD2798 Approved
0.7143 Intermediate Similarity NPD17 Approved
0.7135 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD4308 Phase 3
0.7133 Intermediate Similarity NPD3225 Approved
0.7127 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7123 Intermediate Similarity NPD9545 Approved
0.7111 Intermediate Similarity NPD4287 Approved
0.7103 Intermediate Similarity NPD9493 Approved
0.7099 Intermediate Similarity NPD7390 Discontinued
0.7095 Intermediate Similarity NPD8434 Phase 2
0.7086 Intermediate Similarity NPD1729 Discontinued
0.7083 Intermediate Similarity NPD4288 Approved
0.7078 Intermediate Similarity NPD6798 Discontinued
0.7078 Intermediate Similarity NPD3268 Approved
0.7078 Intermediate Similarity NPD1296 Phase 2
0.7059 Intermediate Similarity NPD4908 Phase 1
0.7055 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7044 Intermediate Similarity NPD2355 Clinical (unspecified phase)
0.7044 Intermediate Similarity NPD2353 Approved
0.7035 Intermediate Similarity NPD5711 Approved
0.7035 Intermediate Similarity NPD5710 Approved
0.7025 Intermediate Similarity NPD7033 Discontinued
0.7017 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7014 Intermediate Similarity NPD1241 Discontinued
0.7012 Intermediate Similarity NPD5049 Phase 3
0.7 Intermediate Similarity NPD1481 Phase 2
0.6994 Remote Similarity NPD4357 Discontinued
0.6987 Remote Similarity NPD4060 Phase 1
0.6986 Remote Similarity NPD405 Clinical (unspecified phase)
0.6974 Remote Similarity NPD2797 Approved
0.6974 Remote Similarity NPD1164 Approved
0.6968 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6964 Remote Similarity NPD37 Approved
0.6954 Remote Similarity NPD7784 Clinical (unspecified phase)
0.6941 Remote Similarity NPD4965 Approved
0.6941 Remote Similarity NPD4967 Phase 2
0.6941 Remote Similarity NPD4966 Approved
0.6939 Remote Similarity NPD5536 Phase 2
0.6933 Remote Similarity NPD1535 Discovery
0.6928 Remote Similarity NPD1019 Discontinued
0.6923 Remote Similarity NPD6233 Phase 2
0.6919 Remote Similarity NPD4361 Phase 2
0.6919 Remote Similarity NPD4362 Clinical (unspecified phase)
0.691 Remote Similarity NPD7685 Pre-registration
0.6903 Remote Similarity NPD4625 Phase 3
0.6903 Remote Similarity NPD7095 Approved
0.6901 Remote Similarity NPD6971 Discontinued
0.6897 Remote Similarity NPD5242 Approved
0.6887 Remote Similarity NPD3972 Approved
0.6883 Remote Similarity NPD3018 Phase 2
0.6879 Remote Similarity NPD4307 Phase 2
0.6879 Remote Similarity NPD1558 Phase 1
0.6875 Remote Similarity NPD228 Approved
0.6875 Remote Similarity NPD5404 Approved
0.6875 Remote Similarity NPD5406 Approved
0.6875 Remote Similarity NPD5408 Approved
0.6875 Remote Similarity NPD5405 Approved
0.6875 Remote Similarity NPD7228 Approved
0.6871 Remote Similarity NPD3887 Approved
0.6863 Remote Similarity NPD3267 Approved
0.6863 Remote Similarity NPD3266 Approved
0.6857 Remote Similarity NPD4575 Clinical (unspecified phase)
0.6842 Remote Similarity NPD4749 Approved
0.6842 Remote Similarity NPD5019 Clinical (unspecified phase)
0.6839 Remote Similarity NPD7229 Phase 3
0.6833 Remote Similarity NPD8312 Approved
0.6833 Remote Similarity NPD8313 Approved

Structure

External Identifiers

PubChem CID   5281295
ChEMBL   CHEMBL490355
ZINC  

Physicochemical Properties

Molecular Weight:  270.05
ALogP:  -1.7778
MLogP:  2.56
XLogP:  2.329
# Rotatable Bonds:  4
Polar Surface Area:  86.99
# H-Bond Aceptor:  1
# H-Bond Donor:  3
# Rings:  3
# Heavy Atoms:  20

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Structure MOL file  
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Biological Activities  
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