Natural Product: NPC99968

Natural Product ID:  NPC99968
Common Name:   Egonol
IUPAC Name:   3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propan-1-ol
Synonyms:   Egonol
Molecular Formula:   C19H18O5
Standard InCHIKey:  VOLZBKQSLGCZGC-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C19H18O5/c1-21-18-8-12(3-2-6-20)7-14-10-16(24-19(14)18)13-4-5-15-17(9-13)23-11-22-15/h4-5,7-10,20H,2-3,6,11H2,1H3
Canonical SMILES:  OCCCc1cc2cc(oc2c(c1)OC)c1ccc2c(c1)OCO2
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
NPO27341 Liatris chapmanii Species Asteraceae Eukaryota UNPD*
NPO27757 Polygala telephioides Species Polygalaceae Eukaryota UNPD*
NPO10056 Nicotiana sylvestris Species Solanaceae Eukaryota UNPD*
NPO27431 Oligoporus tephroleucus Species Coriolaceae Eukaryota UNPD*
NPO10376 Arcyria denudata Species Trichiidae Eukaryota UNPD*
NPO7534 Leptogorgia sarmentosa Species Gorgoniidae Eukaryota UNPD*
NPO7811 Scleronephthya pallida Species Nephtheidae Eukaryota UNPD*
NPO10391 Dolomiaea souliei Species Asteraceae Eukaryota UNPD*
NPO10221 Streptomyces alboniger Species Streptomycetaceae Bacteria UNPD*
NPO14098 Styrax agrestis Species Styracaceae Eukaryota ripe fruit PMID[21939219]
NPO24931 Myelochroa aurulenta Species Parmeliaceae Eukaryota UNPD*
NPO27486 Gutierrezia sarothrae Species Asteraceae Eukaryota UNPD*
NPO23665 Streptomyces pyridomyceticus Species Streptomycetaceae Bacteria UNPD*
NPO23802 Styrax formosanus Species Styracaceae Eukaryota TCMID*
NPO9717 Wibelia divaricata Species Davalliaceae Eukaryota UNPD*
NPO17951 Styrax japonicus Species Styracaceae Eukaryota TCMID*
NPO7229 Styrax americanus Species Styracaceae Eukaryota UNPD*
NPO24721 Styrax obassis Species Styracaceae Eukaryota TCMID*
NPO8498.1 Laetiporus sulphureus var. miniatus Varieties Coriolaceae Eukaryota Chem. Pharm. Bull.,2001,49: 327-329
NPO9207 Styrax ferrugineus Species Styracaceae Eukaryota TCMID*
NPO14098 Styrax agrestis Species Styracaceae Eukaryota fruits Thua Thien, Hue district, Vietnam PMID[21939219]
NPO8927 Poria selecta Species Coccinellidae Eukaryota UNPD*
NPO27692 Stichopus californicus Species Stichopodidae Eukaryota UNPD*
NPO3707 Chromatium okenii Species Chromatiaceae Bacteria UNPD*
NPO8258 Camellia sinensis Species Theaceae Eukaryota UNPD*
NPO27132 Alchornea glandulosa Species Euphorbiaceae Eukaryota UNPD*
NPO9741 Actinopyga agassizi Species Holothuriidae Eukaryota UNPD*
NPO3449 Lonicera hypoleuca Species Caprifoliaceae Eukaryota UNPD*
NPO12600 Trametes cinnabarina Species Coriolaceae Eukaryota UNPD*
NPO4064 Halimodendron halodendron Species Fabaceae Eukaryota UNPD*
NPO25216 Senecio vellereus Species Asteraceae Eukaryota UNPD*
NPO8354 Aster bellidiastrum Species Asteraceae Eukaryota UNPD*
NPO6249 Garcinia mangostana Species Clusiaceae Eukaryota UNPD*
NPO27924 Serpocaulon triseriale Species Polypodiaceae Eukaryota UNPD*
NPO26879 Annona densicoma Species Annonaceae Eukaryota UNPD*
NPO27251 Lobophytum crassum Species Alcyoniidae Eukaryota UNPD*
NPO8560 Aplidium tabascum Species Polyclinidae Eukaryota UNPD*
NPO10849 Eucalyptus camaldulensis Species Myrtaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 800 ug/ml 18321718
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 800 ug/ml 18321718
NPT20 Organism Candida albicans Candida albicans MIC = 800 ug/ml 18321718
NPT19 Organism Escherichia coli Escherichia coli MIC = 800 ug/ml 18321718
NPT2 Others Unspecified IC50 = 28.8 ug/ml 14987072
NPT865 Individual Protein Fatty acid synthase Homo sapiens IC50 = 91070 nM 20817450
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 800 ug/ml 21251840
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 800 ug/ml 21251840
NPT20 Organism Candida albicans Candida albicans MIC = 25 ug/ml 21251840
NPT1140 Organism Escherichia coli ATCC 8739 Escherichia coli ATCC 8739 MIC = 800 ug/ml 21251840
NPT204 Individual Protein Acetylcholinesterase Homo sapiens Inhibition = 61.6 % 21939219
NPT2 Others Unspecified Ratio IC50 = 1.7 24561670
NPT2 Others Unspecified IC50 = 9780 nM 24561670
NPT404 Cell Line CCRF-CEM Homo sapiens IC50 = 5750 nM 24561670
NPT757 Organism Plasmodium falciparum 3D7 Plasmodium falciparum 3D7 IC50 = 25436 nM 24561670

  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 NPC99968 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
0.9737 High Similarity NPC261090
0.9671 High Similarity NPC3273
0.961 High Similarity NPC15764
0.956 High Similarity NPC135370
0.9548 High Similarity NPC139876
0.9539 High Similarity NPC60211
0.9487 High Similarity NPC296540
0.9487 High Similarity NPC309335
0.9427 High Similarity NPC19948
0.9363 High Similarity NPC109238
0.9355 High Similarity NPC261484
0.9295 High Similarity NPC76458
0.9295 High Similarity NPC82733
0.9167 High Similarity NPC268008
0.8909 High Similarity NPC157522
0.8902 High Similarity NPC211309
0.8855 High Similarity NPC62640
0.8841 High Similarity NPC186392
0.8834 High Similarity NPC187923
0.8704 High Similarity NPC65784
0.8675 High Similarity NPC41853
0.8659 High Similarity NPC110257
0.8642 High Similarity NPC250076
0.8636 High Similarity NPC27220
0.8614 High Similarity NPC167479
0.8598 High Similarity NPC272722
0.8598 High Similarity NPC125991
0.8589 High Similarity NPC472962
0.8589 High Similarity NPC472961
0.858 High Similarity NPC290304
0.858 High Similarity NPC236327
0.8571 High Similarity NPC80489
0.8528 High Similarity NPC68619
0.8526 High Similarity NPC327052
0.8521 High Similarity NPC72455
0.8519 High Similarity NPC109765
0.8503 High Similarity NPC247973
0.8494 Intermediate Similarity NPC36320
0.8485 Intermediate Similarity NPC116838
0.8485 Intermediate Similarity NPC302741
0.8485 Intermediate Similarity NPC22130
0.848 Intermediate Similarity NPC47191
0.8476 Intermediate Similarity NPC269906
0.8476 Intermediate Similarity NPC474770
0.8471 Intermediate Similarity NPC66804
0.8466 Intermediate Similarity NPC474990
0.8466 Intermediate Similarity NPC202495
0.8462 Intermediate Similarity NPC471920
0.8462 Intermediate Similarity NPC312006
0.8462 Intermediate Similarity NPC20114
0.8462 Intermediate Similarity NPC471922
0.8462 Intermediate Similarity NPC471921
0.8462 Intermediate Similarity NPC114550
0.8462 Intermediate Similarity NPC292712
0.8462 Intermediate Similarity NPC474075
0.8462 Intermediate Similarity NPC129930
0.8457 Intermediate Similarity NPC300757
0.8457 Intermediate Similarity NPC180901
0.8457 Intermediate Similarity NPC284353
0.8447 Intermediate Similarity NPC137813
0.8447 Intermediate Similarity NPC131121
0.8443 Intermediate Similarity NPC113093
0.8434 Intermediate Similarity NPC475865
0.8434 Intermediate Similarity NPC100425
0.8434 Intermediate Similarity NPC472582
0.8424 Intermediate Similarity NPC94155
0.8421 Intermediate Similarity NPC156635
0.8421 Intermediate Similarity NPC107244
0.8418 Intermediate Similarity NPC24257
0.8418 Intermediate Similarity NPC153620
0.8415 Intermediate Similarity NPC228501
0.8412 Intermediate Similarity NPC184624
0.8412 Intermediate Similarity NPC316539
0.8412 Intermediate Similarity NPC65885
0.8408 Intermediate Similarity NPC213900
0.8405 Intermediate Similarity NPC239113
0.8405 Intermediate Similarity NPC155063
0.8405 Intermediate Similarity NPC115123
0.8402 Intermediate Similarity NPC51404
0.8402 Intermediate Similarity NPC72249
0.8395 Intermediate Similarity NPC279930
0.8385 Intermediate Similarity NPC118332
0.8383 Intermediate Similarity NPC45449
0.8375 Intermediate Similarity NPC104172
0.8375 Intermediate Similarity NPC88886
0.8364 Intermediate Similarity NPC131557
0.8364 Intermediate Similarity NPC220582
0.8364 Intermediate Similarity NPC239818
0.8364 Intermediate Similarity NPC218471
0.8364 Intermediate Similarity NPC304839
0.8363 Intermediate Similarity NPC224165
0.8363 Intermediate Similarity NPC193377
0.8354 Intermediate Similarity NPC310206
0.8354 Intermediate Similarity NPC30890
0.8353 Intermediate Similarity NPC475964
0.8344 Intermediate Similarity NPC473090
0.8344 Intermediate Similarity NPC10205
0.8344 Intermediate Similarity NPC50954
0.8333 Intermediate Similarity NPC308555
0.8333 Intermediate Similarity NPC119589
0.8333 Intermediate Similarity NPC210460
0.8333 Intermediate Similarity NPC68882
0.8333 Intermediate Similarity NPC155264
0.8333 Intermediate Similarity NPC67450
0.8333 Intermediate Similarity NPC191012
0.8333 Intermediate Similarity NPC193881
0.8324 Intermediate Similarity NPC183843
0.8323 Intermediate Similarity NPC39305
0.8323 Intermediate Similarity NPC1706
0.8323 Intermediate Similarity NPC59295
0.8323 Intermediate Similarity NPC1755
0.8323 Intermediate Similarity NPC263092
0.8314 Intermediate Similarity NPC49667
0.8314 Intermediate Similarity NPC8127
0.8313 Intermediate Similarity NPC216092
0.8313 Intermediate Similarity NPC34376
0.8303 Intermediate Similarity NPC257914
0.8303 Intermediate Similarity NPC104459
0.8303 Intermediate Similarity NPC113055
0.8303 Intermediate Similarity NPC238405
0.8294 Intermediate Similarity NPC131866
0.8294 Intermediate Similarity NPC52598
0.8294 Intermediate Similarity NPC476641
0.8294 Intermediate Similarity NPC212748
0.8293 Intermediate Similarity NPC45131
0.8293 Intermediate Similarity NPC472461
0.8293 Intermediate Similarity NPC471405
0.8284 Intermediate Similarity NPC76482
0.8284 Intermediate Similarity NPC42892
0.8284 Intermediate Similarity NPC149244
0.8284 Intermediate Similarity NPC48640
0.8284 Intermediate Similarity NPC476459
0.8282 Intermediate Similarity NPC54179
0.8276 Intermediate Similarity NPC475996
0.8274 Intermediate Similarity NPC300053
0.8272 Intermediate Similarity NPC134905
0.8272 Intermediate Similarity NPC36130
0.8272 Intermediate Similarity NPC170169
0.8269 Intermediate Similarity NPC28398
0.8266 Intermediate Similarity NPC67302
0.8266 Intermediate Similarity NPC35266
0.8266 Intermediate Similarity NPC168584
0.8266 Intermediate Similarity NPC267549
0.8263 Intermediate Similarity NPC198796
0.8263 Intermediate Similarity NPC312056
0.8263 Intermediate Similarity NPC238995
0.8263 Intermediate Similarity NPC84515
0.8263 Intermediate Similarity NPC18284
0.8263 Intermediate Similarity NPC273021
0.8261 Intermediate Similarity NPC205054
0.8261 Intermediate Similarity NPC227980
0.8258 Intermediate Similarity NPC62735
0.8256 Intermediate Similarity NPC53917
0.8256 Intermediate Similarity NPC287243
0.8253 Intermediate Similarity NPC78944
0.8253 Intermediate Similarity NPC243509
0.825 Intermediate Similarity NPC294972
0.825 Intermediate Similarity NPC117463
0.8249 Intermediate Similarity NPC205721
0.8247 Intermediate Similarity NPC163029
0.8246 Intermediate Similarity NPC223375
0.8246 Intermediate Similarity NPC475825
0.8242 Intermediate Similarity NPC258644
0.8242 Intermediate Similarity NPC19600
0.8239 Intermediate Similarity NPC474044
0.8235 Intermediate Similarity NPC476771
0.8232 Intermediate Similarity NPC198490
0.8232 Intermediate Similarity NPC254163
0.8232 Intermediate Similarity NPC478238
0.8228 Intermediate Similarity NPC46880
0.8225 Intermediate Similarity NPC277480
0.8225 Intermediate Similarity NPC174734
0.8225 Intermediate Similarity NPC255615
0.8225 Intermediate Similarity NPC474042
0.8225 Intermediate Similarity NPC67037
0.8225 Intermediate Similarity NPC471923
0.8225 Intermediate Similarity NPC53640
0.8225 Intermediate Similarity NPC254306
0.8221 Intermediate Similarity NPC44730
0.8218 Intermediate Similarity NPC161609
0.8218 Intermediate Similarity NPC275690
0.8214 Intermediate Similarity NPC124038
0.8214 Intermediate Similarity NPC65846
0.8214 Intermediate Similarity NPC471286
0.8214 Intermediate Similarity NPC179464
0.821 Intermediate Similarity NPC78335
0.821 Intermediate Similarity NPC230713
0.821 Intermediate Similarity NPC234152
0.8208 Intermediate Similarity NPC296018
0.8208 Intermediate Similarity NPC79736
0.8208 Intermediate Similarity NPC196771
0.8208 Intermediate Similarity NPC67629
0.8208 Intermediate Similarity NPC154741
0.8204 Intermediate Similarity NPC264293
0.8204 Intermediate Similarity NPC469889
0.8204 Intermediate Similarity NPC30655
0.8204 Intermediate Similarity NPC74854
0.8204 Intermediate Similarity NPC188486
0.8204 Intermediate Similarity NPC45124
0.8199 Intermediate Similarity NPC127827

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC99968 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
0.8293 Intermediate Similarity NPD3882 Suspended
0.8291 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.8284 Intermediate Similarity NPD3818 Discontinued
0.8204 Intermediate Similarity NPD1247 Approved
0.8193 Intermediate Similarity NPD919 Approved
0.8092 Intermediate Similarity NPD6559 Discontinued
0.8025 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.8012 Intermediate Similarity NPD3817 Phase 2
0.8 Intermediate Similarity NPD3926 Phase 2
0.8 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7943 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7943 Intermediate Similarity NPD7808 Phase 3
0.7931 Intermediate Similarity NPD6797 Phase 2
0.7929 Intermediate Similarity NPD5494 Approved
0.7925 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7919 Intermediate Similarity NPD5844 Phase 1
0.7886 Intermediate Similarity NPD7251 Discontinued
0.7882 Intermediate Similarity NPD7199 Phase 2
0.7874 Intermediate Similarity NPD7074 Phase 3
0.7849 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7849 Intermediate Similarity NPD6166 Phase 2
0.7849 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7844 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7844 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7816 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7816 Intermediate Similarity NPD7054 Approved
0.7799 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7784 Intermediate Similarity NPD1934 Approved
0.7771 Intermediate Similarity NPD7472 Approved
0.7751 Intermediate Similarity NPD4967 Phase 2
0.7751 Intermediate Similarity NPD4965 Approved
0.7751 Intermediate Similarity NPD4966 Approved
0.7751 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7738 Intermediate Similarity NPD2801 Approved
0.773 Intermediate Similarity NPD6799 Approved
0.7709 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7706 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7706 Intermediate Similarity NPD7075 Discontinued
0.7688 Intermediate Similarity NPD2344 Approved
0.7683 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7679 Intermediate Similarity NPD6801 Discontinued
0.7657 Intermediate Similarity NPD2163 Approved
0.7654 Intermediate Similarity NPD4628 Phase 3
0.763 Intermediate Similarity NPD6232 Discontinued
0.7627 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD7473 Discontinued
0.759 Intermediate Similarity NPD920 Approved
0.7582 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7574 Intermediate Similarity NPD37 Approved
0.756 Intermediate Similarity NPD6599 Discontinued
0.7558 Intermediate Similarity NPD6234 Discontinued
0.753 Intermediate Similarity NPD1512 Approved
0.7529 Intermediate Similarity NPD7819 Suspended
0.75 Intermediate Similarity NPD2309 Approved
0.75 Intermediate Similarity NPD7458 Discontinued
0.747 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7458 Intermediate Similarity NPD3751 Discontinued
0.7456 Intermediate Similarity NPD4380 Phase 2
0.7453 Intermediate Similarity NPD2799 Discontinued
0.7429 Intermediate Similarity NPD3787 Discontinued
0.7427 Intermediate Similarity NPD8455 Phase 2
0.7412 Intermediate Similarity NPD7411 Suspended
0.741 Intermediate Similarity NPD1511 Approved
0.7405 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7405 Intermediate Similarity NPD6798 Discontinued
0.7389 Intermediate Similarity NPD7685 Pre-registration
0.7384 Intermediate Similarity NPD5402 Approved
0.7378 Intermediate Similarity NPD1243 Approved
0.7377 Intermediate Similarity NPD8434 Phase 2
0.7375 Intermediate Similarity NPD6355 Discontinued
0.7362 Intermediate Similarity NPD1471 Phase 3
0.736 Intermediate Similarity NPD7228 Approved
0.7349 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7345 Intermediate Similarity NPD4575 Clinical (unspecified phase)
0.7326 Intermediate Similarity NPD1465 Phase 2
0.731 Intermediate Similarity NPD6385 Approved
0.731 Intermediate Similarity NPD6386 Approved
0.7308 Intermediate Similarity NPD8313 Approved
0.7308 Intermediate Similarity NPD8312 Approved
0.7301 Intermediate Similarity NPD2935 Discontinued
0.7301 Intermediate Similarity NPD2796 Approved
0.7299 Intermediate Similarity NPD3749 Approved
0.7296 Intermediate Similarity NPD2313 Discontinued
0.7294 Intermediate Similarity NPD3226 Approved
0.7289 Intermediate Similarity NPD6190 Approved
0.7267 Intermediate Similarity NPD447 Suspended
0.7267 Intermediate Similarity NPD1933 Approved
0.7263 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7262 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7256 Intermediate Similarity NPD2346 Discontinued
0.7251 Intermediate Similarity NPD7028 Phase 2
0.7219 Intermediate Similarity NPD5049 Phase 3
0.7215 Intermediate Similarity NPD9494 Approved
0.7212 Intermediate Similarity NPD1549 Phase 2
0.7205 Intermediate Similarity NPD4060 Phase 1
0.7198 Intermediate Similarity NPD6764 Approved
0.7198 Intermediate Similarity NPD6765 Approved
0.7198 Intermediate Similarity NPD7240 Approved
0.7188 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7186 Intermediate Similarity NPD2354 Approved
0.7186 Intermediate Similarity NPD3887 Approved
0.7184 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD5403 Approved
0.7175 Intermediate Similarity NPD6959 Discontinued
0.7175 Intermediate Similarity NPD8127 Discontinued
0.7161 Intermediate Similarity NPD3705 Approved
0.716 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD2533 Approved
0.716 Intermediate Similarity NPD5401 Approved
0.716 Intermediate Similarity NPD2532 Approved
0.716 Intermediate Similarity NPD2534 Approved
0.7152 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7768 Phase 2
0.7143 Intermediate Similarity NPD6233 Phase 2
0.7135 Intermediate Similarity NPD7229 Phase 3
0.7134 Intermediate Similarity NPD1510 Phase 2
0.7115 Intermediate Similarity NPD1608 Approved
0.7099 Intermediate Similarity NPD1240 Approved
0.7093 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.707 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD6280 Approved
0.7069 Intermediate Similarity NPD6279 Approved
0.7066 Intermediate Similarity NPD6674 Discontinued
0.7066 Intermediate Similarity NPD2800 Approved
0.7059 Intermediate Similarity NPD3146 Approved
0.7059 Intermediate Similarity NPD5536 Phase 2
0.7059 Intermediate Similarity NPD3688 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD230 Phase 1
0.7048 Intermediate Similarity NPD2355 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD2353 Approved
0.7047 Intermediate Similarity NPD6780 Approved
0.7047 Intermediate Similarity NPD6777 Approved
0.7047 Intermediate Similarity NPD6776 Approved
0.7047 Intermediate Similarity NPD6778 Approved
0.7047 Intermediate Similarity NPD6781 Approved
0.7047 Intermediate Similarity NPD6782 Approved
0.7047 Intermediate Similarity NPD6779 Approved
0.7044 Intermediate Similarity NPD2798 Approved
0.7043 Intermediate Similarity NPD6785 Approved
0.7043 Intermediate Similarity NPD6784 Approved
0.7035 Intermediate Similarity NPD1653 Approved
0.7026 Intermediate Similarity NPD7435 Discontinued
0.7024 Intermediate Similarity NPD4110 Phase 3
0.7024 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD3750 Approved
0.7018 Intermediate Similarity NPD6273 Approved
0.7012 Intermediate Similarity NPD1607 Approved
0.7011 Intermediate Similarity NPD7039 Approved
0.7011 Intermediate Similarity NPD7038 Approved
0.7006 Intermediate Similarity NPD2424 Discontinued
0.7 Intermediate Similarity NPD5242 Approved
0.699 Remote Similarity NPD7871 Phase 2
0.699 Remote Similarity NPD7870 Phase 2
0.6989 Remote Similarity NPD2296 Approved
0.6978 Remote Similarity NPD7177 Discontinued
0.6975 Remote Similarity NPD3764 Approved
0.6974 Remote Similarity NPD3057 Approved
0.6946 Remote Similarity NPD6005 Phase 3
0.6946 Remote Similarity NPD6004 Phase 3
0.6946 Remote Similarity NPD5763 Approved
0.6946 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6946 Remote Similarity NPD6002 Phase 3
0.6946 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6946 Remote Similarity NPD7266 Discontinued
0.6946 Remote Similarity NPD5762 Approved
0.6944 Remote Similarity NPD6808 Phase 2
0.6939 Remote Similarity NPD7698 Approved
0.6939 Remote Similarity NPD7696 Phase 3
0.6939 Remote Similarity NPD7697 Approved
0.6933 Remote Similarity NPD4062 Phase 3
0.6932 Remote Similarity NPD5760 Phase 2
0.6932 Remote Similarity NPD1006 Clinical (unspecified phase)
0.6932 Remote Similarity NPD5761 Phase 2
0.6928 Remote Similarity NPD7033 Discontinued
0.6928 Remote Similarity NPD3748 Approved
0.6923 Remote Similarity NPD17 Approved
0.6923 Remote Similarity NPD7003 Approved
0.6914 Remote Similarity NPD3027 Phase 3
0.6914 Remote Similarity NPD7095 Approved
0.6908 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6899 Remote Similarity NPD3972 Approved
0.689 Remote Similarity NPD1612 Clinical (unspecified phase)
0.689 Remote Similarity NPD1613 Approved
0.689 Remote Similarity NPD943 Approved
0.6888 Remote Similarity NPD3533 Approved
0.6888 Remote Similarity NPD2972 Approved
0.6875 Remote Similarity NPD1049 Clinical (unspecified phase)
0.6872 Remote Similarity NPD4107 Approved
0.6872 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6865 Remote Similarity NPD5953 Discontinued
0.6859 Remote Similarity NPD1357 Approved
0.6856 Remote Similarity NPD4420 Approved
0.6852 Remote Similarity NPD6832 Phase 2
0.685 Remote Similarity NPD8151 Discontinued
0.6848 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6848 Remote Similarity NPD7286 Phase 2
0.6842 Remote Similarity NPD5058 Phase 3

Structure

External Identifiers

PubChem CID   485186
ChEMBL   CHEMBL470981
ZINC  

Physicochemical Properties

Molecular Weight:  326.12
ALogP:  -1.1829
MLogP:  3
XLogP:  3.075
# Rotatable Bonds:  7
Polar Surface Area:  61.06
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  24

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Biological Activities  
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