Natural Product: NPC93730

Natural Product ID:  NPC93730
Common Name:   Flavonol
IUPAC Name:   3-hydroxy-2-phenylchromen-4-one
Synonyms:   NCI-57653; NSC-57653
Molecular Formula:   C15H10O3
Standard InCHIKey:  HVQAJTFOCKOKIN-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H
Canonical SMILES:  O=c1c(O)c(oc2c1cccc2)c1ccccc1
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
NPO16931 Cichorium glandulosum Species Asteraceae Eukaryota TM-MC*
NPO9865 Cichorium intybus Species Asteraceae Eukaryota TM-MC*
NPO7317 Citrus aurantium Species Rutaceae Eukaryota TM-MC*
NPO30745 Chrysanthemum morifolium Species Asteraceae Eukaryota PMID[8158164]
NPO29653 Hippophae fructus Species Elaeagnaceae Eukaryota TCMSP*
NPO11457 Chelidonium majus Species Papaveraceae Eukaryota TCM_Taiwan*
NPO26293 Ginkgo biloba Species Ginkgoaceae Eukaryota TCM_Taiwan*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT711 Individual Protein Aldose reductase Bos taurus Inhibition = 0 % 10354396
NPT1567 Protein Complex DNA gyrase Escherichia coli K-12 IC50 > 500 ug/ml 10.1016/S0960-894X(01)80881-7
NPT19 Organism Escherichia coli Escherichia coli MIC > 125 ug/ml 10.1016/S0960-894X(01)80881-7
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium MIC > 125 ug/ml 10.1016/S0960-894X(01)80881-7
NPT1521 Organism Stenotrophomonas maltophilia Stenotrophomonas maltophilia MIC > 125 ug/ml 10.1016/S0960-894X(01)80881-7
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis MIC > 125 ug/ml 10.1016/S0960-894X(01)80881-7
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 125 ug/ml 10.1016/S0960-894X(01)80881-7
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 24000 nM 16722653
NPT865 Individual Protein Fatty acid synthase Homo sapiens IC50 > 100000 nM 16870425
NPT865 Individual Protein Fatty acid synthase Homo sapiens Inhibition = 6.5 % 16870425
NPT1119 Individual Protein Arachidonate 12-lipoxygenase Homo sapiens IC50 > 100000 nM 17869117
NPT792 Individual Protein Arachidonate 15-lipoxygenase Homo sapiens IC50 = 73000 nM 17869117
NPT2 Others Unspecified Ratio IC50 < 0.73 17869117
NPT1139 Individual Protein Arachidonate 15-lipoxygenase, type II Homo sapiens IC50 > 100000 nM 17869117
NPT177 Tissue Aorta Rattus norvegicus EC50 = 7585.78 nM 18307286
NPT177 Tissue Aorta Rattus norvegicus Activity = 91 % 18307286
NPT177 Tissue Aorta Rattus norvegicus Activity = 70 % 18307286
NPT177 Tissue Aorta Rattus norvegicus Activity = 83 % 18307286
NPT2 Others Unspecified ID50 > 419.7 nM 1378087
NPT91 Cell Line KB Homo sapiens ED50 = 0.2 ug/ml 469554
NPT967 Individual Protein Xanthine dehydrogenase Homo sapiens IC50 > 100000 nM 9461655
NPT2 Others Unspecified IC50 > 100000 nM 9461655
NPT4064 Individual Protein Hormone-sensitive lipase Rattus norvegicus Inhibition = 23 % 18808096
NPT759 Cell Line H9 Homo sapiens IC50 = 17000 nM 8158164
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 = 13000 nM 8158164
NPT153 Individual Protein Androgen Receptor Homo sapiens IC50 = 23500 nM 19592245
NPT35 Others n.a. Activity = 0.707 MU 19944611
NPT2 Others Unspecified Activity = 1.06 MU 19944611
NPT2 Others Unspecified Activity = 0.484 MU 19944611
NPT35 Others n.a. Activity = 34.7 ug/ml 19944611
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 9.2 % 20346546
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 60.1 % 20346546
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 35.7 % 20346546
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 7.7 % 20346546
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 2.09 % 20346546
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = -16.04 % 20346546
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = -15.66 % 20346546
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = -5.92 % 20346546
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 1.93 % 20346546
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = -10.05 % 20346546
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = -2.36 % 20346546
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = -20.2 % 20346546
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = -6.04 % 20346546
NPT197 Protein-Protein Interaction Menin/Histone-lysine N-methyltransferase MLL Homo sapiens Potency = 7943.3 nM PubChem BioAssay data set
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 25118.9 nM PubChem BioAssay data set
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 25118.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 31622.8 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 7079.5 nM PubChem BioAssay data set
NPT282 Individual Protein MAP kinase ERK2 Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT197 Protein-Protein Interaction Menin/Histone-lysine N-methyltransferase MLL Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 3981.1 nM PubChem BioAssay data set
NPT539 Individual Protein Cellular tumor antigen p53 Homo sapiens Potency = 12589.3 nM PubChem BioAssay data set
NPT539 Individual Protein Cellular tumor antigen p53 Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Potency = 25118.9 nM PubChem BioAssay data set
NPT177 Tissue Aorta Rattus norvegicus IC50 = 203600 nM 21129983
NPT177 Tissue Aorta Rattus norvegicus IC50 = 248300 nM 21129983
NPT1621 Individual Protein Calmodulin Homo sapiens IC50 = 55200 nM 21129983
NPT1621 Individual Protein Calmodulin Homo sapiens Ratio IC50 = 0.36 21129983
NPT1139 Individual Protein Arachidonate 15-lipoxygenase, type II Homo sapiens Potency 10000 nM PubChem BioAssay data set
NPT520 Cell Line 3T3-L1 Mus musculus Activity = -17.6 % 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Activity = -10 % 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Activity = -12.6 % 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Activity = -31.6 % 21493073
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens Kd = 10000 nM 21723648
NPT2 Others Unspecified Potency 25118.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 35481.3 nM PubChem BioAssay data set
NPT8 Individual Protein DNA polymerase iota Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT9 Individual Protein DNA polymerase eta Homo sapiens Potency 89125.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 28183.8 nM PubChem BioAssay data set
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 31622.8 nM PubChem BioAssay data set
NPT901 Individual Protein UDP-glucuronosyltransferase 1-1 Homo sapiens Activity = 370 pm/min/mg 10836148
NPT696 Individual Protein UDP-glucuronosyltransferase 2A1 Homo sapiens Activity = 320 pm/min/mg 10836148
NPT901 Individual Protein UDP-glucuronosyltransferase 1-1 Homo sapiens Activity = 114 pm/min/mg 10836148
NPT901 Individual Protein UDP-glucuronosyltransferase 1-1 Homo sapiens Activity = 50 pm/min/mg 10836148
NPT699 Individual Protein UDP-glucuronosyltransferase 1-10 Homo sapiens Activity = 30 pm/min/mg 10836148
NPT699 Individual Protein UDP-glucuronosyltransferase 1-10 Homo sapiens Activity = 35 pm/min/mg 10836148
NPT694 Individual Protein UDP-glucuronosyltransferase 1-3 Homo sapiens Activity = 604 pm/min/mg 10836148
NPT902 Individual Protein UDP-glucuronosyltransferase 1A4 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT702 Individual Protein UDP-glucuronosyltransferase 1-6 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT903 Individual Protein UDP-glucuronosyltransferase 1-7 Homo sapiens Activity = 57 pm/min/mg 10836148
NPT695 Individual Protein UDP-glucuronosyltransferase 1-8 Homo sapiens Activity = 531 pm/min/mg 10836148
NPT703 Individual Protein UDP-glucuronosyltransferase 1-9 Homo sapiens Activity = 600 pm/min/mg 10836148
NPT696 Individual Protein UDP-glucuronosyltransferase 2A1 Homo sapiens Activity = 163 pm/min/mg 10836148
NPT704 Individual Protein UDP-glucuronosyltransferase 2B15 Homo sapiens Activity = 64 pm/min/mg 10836148
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens Ki = 5210 nM 22487176
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens Ki = 5100 nM 22487176
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens Ki = 9300 nM 22487176
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens Ki = 9200 nM 22487176
NPT948 Individual Protein Carbonic anhydrase IX Homo sapiens Ki = 5540 nM 22487176
NPT948 Individual Protein Carbonic anhydrase IX Homo sapiens Ki = 5630 nM 22487176
NPT949 Individual Protein Carbonic anhydrase XII Homo sapiens Ki = 6590 nM 22487176
NPT949 Individual Protein Carbonic anhydrase XII Homo sapiens Ki = 6650 nM 22487176
NPT1629 Cell Line CWR22R Homo sapiens Activity = 80 % 22789812
NPT1629 Cell Line CWR22R Homo sapiens Activity = 124 % 22789812
NPT1629 Cell Line CWR22R Homo sapiens Activity = 92 % 22789812
NPT1629 Cell Line CWR22R Homo sapiens Activity = 100 % 22789812
NPT1629 Cell Line CWR22R Homo sapiens IC50 = 14900 nM 22789812
NPT10 Individual Protein Geminin Homo sapiens Potency 32642.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 12589.3 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 730.8 nM PubChem BioAssay data set
NPT478 Individual Protein Ataxin-2 Homo sapiens Potency 15848.9 nM PubChem BioAssay data set
NPT101 Individual Protein Glucagon-like peptide 1 receptor Homo sapiens Potency 7943.3 nM PubChem BioAssay data set
NPT1 Others Radical scavenging activity Inhibition = 66 % 10.1007/s00044-007-9060-5
NPT2 Others Unspecified Potency 29092.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 9200 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 18356.4 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens Activity = 64.6 % 23771043
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 133.45 % 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 102.57 % 23571415
NPT2 Others Unspecified Potency 39810.7 nM PubChem BioAssay data set
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency 3.2 nM PubChem BioAssay data set
NPT2847 Tissue Thoracic aorta Rattus norvegicus IC50 = 4265.8 nM 10.1039/C0MD00240B
NPT1 Others Radical scavenging activity IC50 = 387000 nM 25278230
NPT2 Others Unspecified Potency 10000 nM PubChem BioAssay data set

  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 NPC93730 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
0.9483 High Similarity NPC32298
0.9417 High Similarity NPC193805
0.9402 High Similarity NPC54243
0.9237 High Similarity NPC35744
0.9187 High Similarity NPC22783
0.912 High Similarity NPC7569
0.9055 High Similarity NPC128216
0.9008 High Similarity NPC314329
0.8968 High Similarity NPC278787
0.8917 High Similarity NPC201284
0.8915 High Similarity NPC248872
0.8898 High Similarity NPC141549
0.8889 High Similarity NPC197425
0.888 High Similarity NPC298884
0.8871 High Similarity NPC2771
0.8855 High Similarity NPC299379
0.8819 High Similarity NPC39753
0.8819 High Similarity NPC115998
0.8779 High Similarity NPC187432
0.8779 High Similarity NPC116775
0.8779 High Similarity NPC256042
0.8779 High Similarity NPC216361
0.8779 High Similarity NPC281917
0.875 High Similarity NPC137264
0.8729 High Similarity NPC279916
0.8692 High Similarity NPC57601
0.8689 High Similarity NPC470092
0.8682 High Similarity NPC113006
0.8661 High Similarity NPC196034
0.8661 High Similarity NPC125887
0.8657 High Similarity NPC281207
0.8657 High Similarity NPC269652
0.8647 High Similarity NPC276905
0.8626 High Similarity NPC172262
0.8615 High Similarity NPC287533
0.8605 High Similarity NPC324488
0.8593 High Similarity NPC136840
0.8583 High Similarity NPC41721
0.8582 High Similarity NPC152042
0.8582 High Similarity NPC241838
0.8582 High Similarity NPC143799
0.856 High Similarity NPC472888
0.855 High Similarity NPC78540
0.855 High Similarity NPC50898
0.855 High Similarity NPC274121
0.855 High Similarity NPC213216
0.8519 High Similarity NPC103342
0.8519 High Similarity NPC103904
0.8519 High Similarity NPC59951
0.8519 High Similarity NPC146679
0.8519 High Similarity NPC184536
0.8519 High Similarity NPC230285
0.848 Intermediate Similarity NPC311219
0.8462 Intermediate Similarity NPC301717
0.8462 Intermediate Similarity NPC11173
0.8456 Intermediate Similarity NPC262094
0.8456 Intermediate Similarity NPC90582
0.845 Intermediate Similarity NPC187907
0.8433 Intermediate Similarity NPC228661
0.8433 Intermediate Similarity NPC266597
0.8433 Intermediate Similarity NPC254841
0.8433 Intermediate Similarity NPC250266
0.8425 Intermediate Similarity NPC4164
0.8425 Intermediate Similarity NPC224657
0.8421 Intermediate Similarity NPC9985
0.8421 Intermediate Similarity NPC239495
0.8397 Intermediate Similarity NPC284424
0.8394 Intermediate Similarity NPC200694
0.8394 Intermediate Similarity NPC473042
0.8387 Intermediate Similarity NPC246214
0.837 Intermediate Similarity NPC18457
0.8359 Intermediate Similarity NPC474264
0.8358 Intermediate Similarity NPC194281
0.8358 Intermediate Similarity NPC231772
0.8358 Intermediate Similarity NPC124784
0.8358 Intermediate Similarity NPC13408
0.8358 Intermediate Similarity NPC127447
0.8358 Intermediate Similarity NPC61546
0.8358 Intermediate Similarity NPC29353
0.8358 Intermediate Similarity NPC234133
0.8358 Intermediate Similarity NPC473887
0.8358 Intermediate Similarity NPC47815
0.8358 Intermediate Similarity NPC72452
0.8333 Intermediate Similarity NPC24821
0.8333 Intermediate Similarity NPC190637
0.8333 Intermediate Similarity NPC212932
0.8333 Intermediate Similarity NPC470216
0.8333 Intermediate Similarity NPC477536
0.8333 Intermediate Similarity NPC293053
0.8333 Intermediate Similarity NPC9117
0.8321 Intermediate Similarity NPC205360
0.8308 Intermediate Similarity NPC238309
0.8308 Intermediate Similarity NPC473019
0.8296 Intermediate Similarity NPC275055
0.8296 Intermediate Similarity NPC84585
0.8296 Intermediate Similarity NPC290291
0.8296 Intermediate Similarity NPC476480
0.8295 Intermediate Similarity NPC470841
0.8286 Intermediate Similarity NPC51443
0.8286 Intermediate Similarity NPC74881
0.8284 Intermediate Similarity NPC77955
0.8284 Intermediate Similarity NPC472881
0.8273 Intermediate Similarity NPC273538
0.8273 Intermediate Similarity NPC216538
0.8273 Intermediate Similarity NPC326500
0.8271 Intermediate Similarity NPC292998
0.8264 Intermediate Similarity NPC53953
0.8261 Intermediate Similarity NPC471520
0.8258 Intermediate Similarity NPC278556
0.8258 Intermediate Similarity NPC118253
0.8248 Intermediate Similarity NPC475680
0.8248 Intermediate Similarity NPC172986
0.8248 Intermediate Similarity NPC270883
0.8248 Intermediate Similarity NPC235239
0.8248 Intermediate Similarity NPC145673
0.8248 Intermediate Similarity NPC261227
0.8248 Intermediate Similarity NPC305355
0.8244 Intermediate Similarity NPC228184
0.824 Intermediate Similarity NPC233282
0.824 Intermediate Similarity NPC230951
0.8235 Intermediate Similarity NPC201395
0.8235 Intermediate Similarity NPC147686
0.8235 Intermediate Similarity NPC280284
0.8235 Intermediate Similarity NPC329225
0.8235 Intermediate Similarity NPC188947
0.8235 Intermediate Similarity NPC472460
0.8235 Intermediate Similarity NPC99333
0.8226 Intermediate Similarity NPC171023
0.8226 Intermediate Similarity NPC152159
0.8222 Intermediate Similarity NPC477534
0.8222 Intermediate Similarity NPC240593
0.822 Intermediate Similarity NPC141523
0.8217 Intermediate Similarity NPC237868
0.8214 Intermediate Similarity NPC1940
0.8214 Intermediate Similarity NPC148011
0.8214 Intermediate Similarity NPC124729
0.8214 Intermediate Similarity NPC306488
0.8214 Intermediate Similarity NPC229190
0.8214 Intermediate Similarity NPC5820
0.8214 Intermediate Similarity NPC20791
0.8214 Intermediate Similarity NPC179271
0.8214 Intermediate Similarity NPC178343
0.8214 Intermediate Similarity NPC153758
0.8203 Intermediate Similarity NPC107846
0.8203 Intermediate Similarity NPC56332
0.8201 Intermediate Similarity NPC158874
0.8195 Intermediate Similarity NPC473655
0.8195 Intermediate Similarity NPC101294
0.8188 Intermediate Similarity NPC110969
0.8188 Intermediate Similarity NPC310128
0.8188 Intermediate Similarity NPC147688
0.8188 Intermediate Similarity NPC156590
0.8188 Intermediate Similarity NPC118840
0.8188 Intermediate Similarity NPC205006
0.8188 Intermediate Similarity NPC103362
0.8188 Intermediate Similarity NPC64908
0.8182 Intermediate Similarity NPC5515
0.8182 Intermediate Similarity NPC270369
0.8175 Intermediate Similarity NPC216978
0.8175 Intermediate Similarity NPC303633
0.8175 Intermediate Similarity NPC18260
0.8175 Intermediate Similarity NPC301217
0.8175 Intermediate Similarity NPC55018
0.8175 Intermediate Similarity NPC261234
0.8175 Intermediate Similarity NPC78913
0.8175 Intermediate Similarity NPC96565
0.8175 Intermediate Similarity NPC220062
0.8162 Intermediate Similarity NPC188879
0.8162 Intermediate Similarity NPC295261
0.8162 Intermediate Similarity NPC160972
0.8162 Intermediate Similarity NPC32441
0.8162 Intermediate Similarity NPC12296
0.8162 Intermediate Similarity NPC107586
0.8162 Intermediate Similarity NPC79943
0.8162 Intermediate Similarity NPC243083
0.8162 Intermediate Similarity NPC287246
0.8162 Intermediate Similarity NPC296490
0.8162 Intermediate Similarity NPC13768
0.8162 Intermediate Similarity NPC287068
0.8156 Intermediate Similarity NPC14001
0.8156 Intermediate Similarity NPC166757
0.8151 Intermediate Similarity NPC224584
0.8148 Intermediate Similarity NPC234560
0.8148 Intermediate Similarity NPC39426
0.8148 Intermediate Similarity NPC324929
0.8148 Intermediate Similarity NPC151113
0.8145 Intermediate Similarity NPC45104
0.8145 Intermediate Similarity NPC217423
0.8143 Intermediate Similarity NPC142731
0.8143 Intermediate Similarity NPC306607
0.8143 Intermediate Similarity NPC49130
0.8143 Intermediate Similarity NPC70136
0.8143 Intermediate Similarity NPC4152
0.8143 Intermediate Similarity NPC208176
0.8143 Intermediate Similarity NPC62290
0.8143 Intermediate Similarity NPC279417
0.8143 Intermediate Similarity NPC326506
0.813 Intermediate Similarity NPC188907
0.8129 Intermediate Similarity NPC226636
0.8129 Intermediate Similarity NPC1534

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC93730 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
0.9008 High Similarity NPD1547 Clinical (unspecified phase)
0.8968 High Similarity NPD2313 Discontinued
0.872 High Similarity NPD1203 Approved
0.8651 High Similarity NPD2798 Approved
0.848 Intermediate Similarity NPD9717 Approved
0.8296 Intermediate Similarity NPD2346 Discontinued
0.8284 Intermediate Similarity NPD2799 Discontinued
0.8273 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8235 Intermediate Similarity NPD1549 Phase 2
0.8231 Intermediate Similarity NPD6832 Phase 2
0.8214 Intermediate Similarity NPD1512 Approved
0.8162 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8162 Intermediate Similarity NPD2344 Approved
0.8162 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8148 Intermediate Similarity NPD1510 Phase 2
0.8143 Intermediate Similarity NPD5401 Approved
0.814 Intermediate Similarity NPD2797 Approved
0.812 Intermediate Similarity NPD1240 Approved
0.8115 Intermediate Similarity NPD1241 Discontinued
0.8088 Intermediate Similarity NPD2796 Approved
0.8071 Intermediate Similarity NPD1511 Approved
0.8028 Intermediate Similarity NPD5403 Approved
0.8015 Intermediate Similarity NPD4308 Phase 3
0.8 Intermediate Similarity NPD1607 Approved
0.797 Intermediate Similarity NPD3268 Approved
0.7956 Intermediate Similarity NPD1551 Phase 2
0.7943 Intermediate Similarity NPD6799 Approved
0.7939 Intermediate Similarity NPD1019 Discontinued
0.7929 Intermediate Similarity NPD2309 Approved
0.7926 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7926 Intermediate Similarity NPD1933 Approved
0.7926 Intermediate Similarity NPD447 Suspended
0.792 Intermediate Similarity NPD9493 Approved
0.7887 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7863 Intermediate Similarity NPD3266 Approved
0.7863 Intermediate Similarity NPD3267 Approved
0.7857 Intermediate Similarity NPD3750 Approved
0.7852 Intermediate Similarity NPD4307 Phase 2
0.7836 Intermediate Similarity NPD411 Approved
0.7826 Intermediate Similarity NPD2935 Discontinued
0.7793 Intermediate Similarity NPD3226 Approved
0.7786 Intermediate Similarity NPD3225 Approved
0.7786 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.777 Intermediate Similarity NPD5402 Approved
0.777 Intermediate Similarity NPD1471 Phase 3
0.777 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7769 Intermediate Similarity NPD1481 Phase 2
0.7755 Intermediate Similarity NPD6844 Discontinued
0.7754 Intermediate Similarity NPD3748 Approved
0.775 Intermediate Similarity NPD9697 Approved
0.7704 Intermediate Similarity NPD6798 Discontinued
0.7703 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD1535 Discovery
0.7692 Intermediate Similarity NPD1201 Approved
0.7656 Intermediate Similarity NPD1894 Discontinued
0.7651 Intermediate Similarity NPD3817 Phase 2
0.7639 Intermediate Similarity NPD4662 Approved
0.7639 Intermediate Similarity NPD4661 Approved
0.7638 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7635 Intermediate Similarity NPD6801 Discontinued
0.7634 Intermediate Similarity NPD3972 Approved
0.7634 Intermediate Similarity NPD1608 Approved
0.7623 Intermediate Similarity NPD9267 Approved
0.7623 Intermediate Similarity NPD9264 Approved
0.7623 Intermediate Similarity NPD9263 Approved
0.7619 Intermediate Similarity NPD4380 Phase 2
0.7619 Intermediate Similarity NPD6599 Discontinued
0.7594 Intermediate Similarity NPD1470 Approved
0.7584 Intermediate Similarity NPD2801 Approved
0.7568 Intermediate Similarity NPD7411 Suspended
0.7561 Intermediate Similarity NPD74 Approved
0.7561 Intermediate Similarity NPD9266 Approved
0.7552 Intermediate Similarity NPD2354 Approved
0.755 Intermediate Similarity NPD7075 Discontinued
0.755 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7541 Intermediate Similarity NPD968 Approved
0.7535 Intermediate Similarity NPD1243 Approved
0.7519 Intermediate Similarity NPD1876 Approved
0.7518 Intermediate Similarity NPD6233 Phase 2
0.7517 Intermediate Similarity NPD1934 Approved
0.7483 Intermediate Similarity NPD3882 Suspended
0.7483 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7467 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7467 Intermediate Similarity NPD7819 Suspended
0.7466 Intermediate Similarity NPD5049 Phase 3
0.7438 Intermediate Similarity NPD9261 Approved
0.7431 Intermediate Similarity NPD3295 Clinical (unspecified phase)
0.741 Intermediate Similarity NPD1184 Approved
0.741 Intermediate Similarity NPD6355 Discontinued
0.7405 Intermediate Similarity NPD17 Approved
0.7397 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7394 Intermediate Similarity NPD2353 Approved
0.7394 Intermediate Similarity NPD2355 Clinical (unspecified phase)
0.7385 Intermediate Similarity NPD1548 Phase 1
0.7379 Intermediate Similarity NPD7440 Discontinued
0.7379 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7377 Intermediate Similarity NPD1237 Approved
0.7376 Intermediate Similarity NPD7033 Discontinued
0.7343 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD1164 Approved
0.732 Intermediate Similarity NPD3749 Approved
0.7319 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7303 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7303 Intermediate Similarity NPD2296 Approved
0.7297 Intermediate Similarity NPD920 Approved
0.7293 Intermediate Similarity NPD422 Phase 1
0.7267 Intermediate Similarity NPD6585 Discontinued
0.7266 Intermediate Similarity NPD4062 Phase 3
0.7261 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7261 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7261 Intermediate Similarity NPD6166 Phase 2
0.7255 Intermediate Similarity NPD7768 Phase 2
0.7252 Intermediate Similarity NPD9545 Approved
0.7244 Intermediate Similarity NPD1609 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD4628 Phase 3
0.7241 Intermediate Similarity NPD7003 Approved
0.7233 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD5889 Approved
0.7219 Intermediate Similarity NPD5890 Approved
0.7214 Intermediate Similarity NPD3140 Approved
0.7214 Intermediate Similarity NPD3142 Approved
0.7209 Intermediate Similarity NPD9281 Approved
0.72 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD290 Approved
0.7194 Intermediate Similarity NPD3764 Approved
0.7192 Intermediate Similarity NPD3887 Approved
0.719 Intermediate Similarity NPD1238 Approved
0.7188 Intermediate Similarity NPD5535 Approved
0.7172 Intermediate Similarity NPD2800 Approved
0.717 Intermediate Similarity NPD3818 Discontinued
0.7163 Intermediate Similarity NPD4622 Approved
0.7163 Intermediate Similarity NPD4618 Approved
0.7154 Intermediate Similarity NPD6671 Approved
0.7143 Intermediate Similarity NPD6797 Phase 2
0.7143 Intermediate Similarity NPD1778 Approved
0.7132 Intermediate Similarity NPD1283 Approved
0.7122 Intermediate Similarity NPD7095 Approved
0.7114 Intermediate Similarity NPD6273 Approved
0.7105 Intermediate Similarity NPD2366 Approved
0.7099 Intermediate Similarity NPD7251 Discontinued
0.7092 Intermediate Similarity NPD943 Approved
0.709 Intermediate Similarity NPD3496 Discontinued
0.7083 Intermediate Similarity NPD4477 Approved
0.7083 Intermediate Similarity NPD1501 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD4476 Approved
0.7071 Intermediate Similarity NPD1296 Phase 2
0.707 Intermediate Similarity NPD1247 Approved
0.7068 Intermediate Similarity NPD1651 Approved
0.7068 Intermediate Similarity NPD5585 Approved
0.7063 Intermediate Similarity NPD5689 Approved
0.7063 Intermediate Similarity NPD5688 Approved
0.7059 Intermediate Similarity NPD6280 Approved
0.7059 Intermediate Similarity NPD6279 Approved
0.7055 Intermediate Similarity NPD7808 Phase 3
0.7055 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD919 Approved
0.705 Intermediate Similarity NPD2614 Approved
0.7044 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7044 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD1610 Phase 2
0.7019 Intermediate Similarity NPD7054 Approved
0.7006 Intermediate Similarity NPD5494 Approved
0.6987 Remote Similarity NPD955 Approved
0.6986 Remote Similarity NPD2897 Discontinued
0.6978 Remote Similarity NPD9494 Approved
0.6978 Remote Similarity NPD454 Approved
0.6975 Remote Similarity NPD7472 Approved
0.6974 Remote Similarity NPD2649 Approved
0.6974 Remote Similarity NPD7458 Discontinued
0.6974 Remote Similarity NPD2651 Approved
0.6968 Remote Similarity NPD4288 Approved
0.6966 Remote Similarity NPD6100 Approved
0.6966 Remote Similarity NPD6099 Approved
0.6963 Remote Similarity NPD3847 Discontinued
0.6962 Remote Similarity NPD6959 Discontinued
0.6948 Remote Similarity NPD7577 Discontinued
0.6947 Remote Similarity NPD690 Clinical (unspecified phase)
0.6944 Remote Similarity NPD1536 Approved
0.6943 Remote Similarity NPD3252 Approved
0.6934 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6929 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6923 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6923 Remote Similarity NPD4340 Discontinued
0.6918 Remote Similarity NPD6800 Clinical (unspecified phase)
0.6917 Remote Similarity NPD5536 Phase 2
0.6912 Remote Similarity NPD1281 Approved
0.6912 Remote Similarity NPD1611 Approved
0.6906 Remote Similarity NPD5647 Approved
0.6901 Remote Similarity NPD520 Approved
0.6897 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6897 Remote Similarity NPD651 Clinical (unspecified phase)
0.6892 Remote Similarity NPD6398 Clinical (unspecified phase)
0.689 Remote Similarity NPD6559 Discontinued
0.6879 Remote Similarity NPD8005 Clinical (unspecified phase)
0.6875 Remote Similarity NPD3926 Phase 2
0.6875 Remote Similarity NPD2684 Approved
0.6871 Remote Similarity NPD7074 Phase 3
0.6871 Remote Similarity NPD4534 Discontinued
0.6871 Remote Similarity NPD5958 Discontinued
0.6863 Remote Similarity NPD3769 Discontinued

Structure

External Identifiers

PubChem CID   11349
ChEMBL   CHEMBL294009
ZINC  

Physicochemical Properties

Molecular Weight:  238.06
ALogP:  -0.96
MLogP:  2.78
XLogP:  5.648
# Rotatable Bonds:  2
Polar Surface Area:  46.53
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  18

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Biological Activities  
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