Natural Product: NPC247713

Natural Product ID:  NPC247713
Common Name:   n.a.
IUPAC Name:  
Synonyms:   3-O-Methylellagic Acid
Molecular Formula:   C15H8O8
Standard InCHIKey:  FAARLWTXUUQFSN-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C15H8O8/c1-21-11-7(17)3-5-9-8-4(15(20)23-13(9)11)2-6(16)10(18)12(8)22-14(5)19/h2-3,16-18H,1H3
Canonical SMILES:  COc1c(O)cc2c3c1oc(=O)c1c3c(oc2=O)c(c(c1)O)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
NPO21096 Cardiospermum halicacabum Species Sapindaceae Eukaryota UNPD*
NPO21420 Phormia regina Species Calliphoridae Eukaryota UNPD*
NPO22829 Ozoroa insignis Species Anacardiaceae Eukaryota UNPD*
NPO20972 Oscillatoria princeps Species Oscillatoriaceae Bacteria UNPD*
NPO21730 Pouzolzia occidentalis Species Urticaceae Eukaryota UNPD*
NPO22250 Parastrephia lepidophylla Species Asteraceae Eukaryota UNPD*
NPO3336 Exostema acuminatum Species Rubiaceae Eukaryota UNPD*
NPO22121 Piper arboreum Species Piperaceae Eukaryota UNPD*
NPO2981 Frankenia laevis Species Frankeniaceae Eukaryota UNPD*
NPO20652 Phytolacca acinosa Species Phytolaccaceae Eukaryota UNPD*
NPO5240 Unonopsis spectabilis Species Annonaceae Eukaryota UNPD*
NPO22763 Cuphea carthagenensis Species Lythraceae Eukaryota UNPD*
NPO21859 Centaurea nigrescens Species Asteraceae Eukaryota UNPD*
NPO20096 Cirsium japonicum Species Asteraceae Eukaryota UNPD*
NPO22447 Sidastrum acuminatum Species Malvaceae Eukaryota UNPD*
NPO8591 Senecio inaequidens Species Asteraceae Eukaryota UNPD*
NPO16414 Thuja plicata Species Cupressaceae Eukaryota UNPD*
NPO6529 Thunia alba Species Orchidaceae Eukaryota UNPD*
NPO21349 Punica granatum Species Lythraceae Eukaryota UNPD*
NPO20332 Dioscoreophyllum cumminsii Species Menispermaceae Eukaryota UNPD*
NPO20467 Macaranga barteri Species Euphorbiaceae Eukaryota PMID[19006373]
NPO22976 Ruta microcarpa Species Rutaceae Eukaryota UNPD*
NPO12088 Conyza canadensis Species Asteraceae Eukaryota UNPD*
NPO22509 Syncolostemon parviflorus Species Lamiaceae Eukaryota UNPD*
NPO20146 Cladiella krempfi Species Alcyoniidae Eukaryota UNPD*
NPO19899 Crepis foetida Species Asteraceae Eukaryota UNPD*
NPO12362 Coreopsis fasciculata Species Asteraceae Eukaryota UNPD*
NPO22381 Euphorbia segetalis Species Euphorbiaceae Eukaryota UNPD*
NPO4104 Vicia sylvatica Species Fabaceae Eukaryota UNPD*
NPO23953 Zanthoxylum monophyllum Species Rutaceae Eukaryota UNPD*
NPO2780 Brenneria rubrifaciens Species Pectobacteriaceae Bacteria UNPD*
NPO22635 Penstemon secundiflorus Species Plantaginaceae Eukaryota UNPD*
NPO6395 Phedimus kamtschaticus Species Crassulaceae Eukaryota UNPD*
NPO22052 Aspergillus candidus Species Aspergillaceae Eukaryota UNPD*
NPO8188 Hypoestes purpurea Species Acanthaceae Eukaryota UNPD*
NPO21991 Modiolus demissus Species Mytilidae Eukaryota UNPD*
NPO21473 Urtica triangularis Species Urticaceae Eukaryota UNPD*
NPO20779 Garcinia hombroniana Species Clusiaceae Eukaryota UNPD*
NPO4659 Asiasarum heterotropoides NA NA NA UNPD*
NPO1271 Brahea armata Species Arecaceae Eukaryota UNPD*
NPO23010 Crinum defixum Species Amaryllidaceae Eukaryota UNPD*
NPO13355 Selinum carvifolium Species Apiaceae Eukaryota UNPD*
NPO22893 Apterostigma dentigerum Species Formicidae Eukaryota UNPD*
NPO21227 Aglaia elaeagnoidea Species Meliaceae Eukaryota UNPD*
NPO21603 Eskemukerjea megacarpum NA NA NA UNPD*
NPO29466 Triglochin maritima Species Juncaginaceae Eukaryota UNPD*
NPO20842 Beauveria felina Species Cordycipitaceae Eukaryota UNPD*
NPO26153 Psephellus bellus Species Asteraceae Eukaryota UNPD*
NPO22568 Aristolochia elegans Species Aristolochiaceae Eukaryota UNPD*
NPO21282 Aplidium orthium Species Polyclinidae Eukaryota UNPD*
NPO28912 Astragalus gummifer Species Fabaceae Eukaryota UNPD*
NPO22315 Phlogacanthus thyrsiflorus Species Acanthaceae Eukaryota UNPD*
NPO20209 Dorstenia lindeniana Species Moraceae Eukaryota UNPD*
NPO2369 Todarodes pacificus Species Ommastrephidae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition = 13.7 % 19006373

  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 NPC247713 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
0.9933 High Similarity NPC267627
0.9933 High Similarity NPC40702
0.9933 High Similarity NPC37502
0.9799 High Similarity NPC178134
0.9423 High Similarity NPC67959
0.9355 High Similarity NPC24627
0.9346 High Similarity NPC20541
0.9281 High Similarity NPC238672
0.9281 High Similarity NPC144801
0.9281 High Similarity NPC197188
0.9281 High Similarity NPC116850
0.9281 High Similarity NPC43872
0.9281 High Similarity NPC291510
0.9255 High Similarity NPC166674
0.9255 High Similarity NPC473550
0.9255 High Similarity NPC34436
0.9255 High Similarity NPC219600
0.9255 High Similarity NPC46640
0.9255 High Similarity NPC263119
0.925 High Similarity NPC181778
0.9167 High Similarity NPC87317
0.9161 High Similarity NPC54928
0.9108 High Similarity NPC155101
0.9108 High Similarity NPC53889
0.9079 High Similarity NPC107636
0.9038 High Similarity NPC300845
0.9038 High Similarity NPC291948
0.9038 High Similarity NPC318432
0.9038 High Similarity NPC88803
0.9038 High Similarity NPC250436
0.9038 High Similarity NPC104983
0.9026 High Similarity NPC228662
0.9024 High Similarity NPC297574
0.9007 High Similarity NPC131766
0.9007 High Similarity NPC262282
0.9 High Similarity NPC134975
0.8987 High Similarity NPC24164
0.8981 High Similarity NPC38779
0.8981 High Similarity NPC160512
0.8981 High Similarity NPC156818
0.8981 High Similarity NPC68324
0.8981 High Similarity NPC289322
0.8981 High Similarity NPC114179
0.8961 High Similarity NPC151473
0.8957 High Similarity NPC38438
0.8947 High Similarity NPC268366
0.8938 High Similarity NPC474350
0.8917 High Similarity NPC227062
0.8903 High Similarity NPC171010
0.8896 High Similarity NPC124470
0.8896 High Similarity NPC109827
0.8882 High Similarity NPC142614
0.8868 High Similarity NPC200594
0.8868 High Similarity NPC200746
0.8862 High Similarity NPC125352
0.8861 High Similarity NPC300727
0.8861 High Similarity NPC241904
0.8846 High Similarity NPC101996
0.8846 High Similarity NPC39007
0.8846 High Similarity NPC161277
0.8841 High Similarity NPC158226
0.8839 High Similarity NPC29231
0.8834 High Similarity NPC163130
0.8834 High Similarity NPC165979
0.8827 High Similarity NPC477517
0.8824 High Similarity NPC267509
0.8824 High Similarity NPC138978
0.882 High Similarity NPC248638
0.882 High Similarity NPC152659
0.882 High Similarity NPC300984
0.882 High Similarity NPC236521
0.881 High Similarity NPC129533
0.881 High Similarity NPC123259
0.8805 High Similarity NPC315157
0.8805 High Similarity NPC45846
0.8805 High Similarity NPC238381
0.8805 High Similarity NPC476242
0.8802 High Similarity NPC80956
0.8797 High Similarity NPC274730
0.879 High Similarity NPC292214
0.879 High Similarity NPC167091
0.879 High Similarity NPC88645
0.879 High Similarity NPC281477
0.879 High Similarity NPC271779
0.879 High Similarity NPC206238
0.8782 High Similarity NPC202157
0.8782 High Similarity NPC272566
0.8782 High Similarity NPC204350
0.8782 High Similarity NPC78505
0.8782 High Similarity NPC75695
0.8773 High Similarity NPC473818
0.8766 High Similarity NPC77378
0.8765 High Similarity NPC8070
0.8758 High Similarity NPC32470
0.8758 High Similarity NPC25152
0.875 High Similarity NPC228785
0.875 High Similarity NPC53680
0.875 High Similarity NPC208797
0.875 High Similarity NPC14353
0.875 High Similarity NPC139036
0.875 High Similarity NPC56085
0.875 High Similarity NPC474960
0.8742 High Similarity NPC167098
0.8742 High Similarity NPC472963
0.8742 High Similarity NPC299520
0.8742 High Similarity NPC296044
0.8742 High Similarity NPC129684
0.8734 High Similarity NPC82592
0.8734 High Similarity NPC38898
0.8734 High Similarity NPC199926
0.8734 High Similarity NPC16082
0.8726 High Similarity NPC120537
0.8726 High Similarity NPC199100
0.8726 High Similarity NPC289968
0.8726 High Similarity NPC295646
0.8726 High Similarity NPC180234
0.8726 High Similarity NPC474656
0.872 High Similarity NPC99613
0.872 High Similarity NPC49487
0.8718 High Similarity NPC470107
0.8718 High Similarity NPC179183
0.8718 High Similarity NPC248102
0.8712 High Similarity NPC13481
0.8712 High Similarity NPC472452
0.8712 High Similarity NPC29160
0.8712 High Similarity NPC207575
0.871 High Similarity NPC43669
0.871 High Similarity NPC272721
0.871 High Similarity NPC196277
0.8704 High Similarity NPC146134
0.8696 High Similarity NPC61010
0.8696 High Similarity NPC303565
0.8696 High Similarity NPC278052
0.8696 High Similarity NPC173137
0.8696 High Similarity NPC134783
0.8696 High Similarity NPC40491
0.8688 High Similarity NPC100123
0.8688 High Similarity NPC55738
0.8688 High Similarity NPC328122
0.8683 High Similarity NPC79736
0.8683 High Similarity NPC67629
0.8683 High Similarity NPC472723
0.8683 High Similarity NPC473713
0.8679 High Similarity NPC150227
0.8679 High Similarity NPC472907
0.8679 High Similarity NPC470600
0.8675 High Similarity NPC254994
0.8671 High Similarity NPC472905
0.8671 High Similarity NPC89474
0.8671 High Similarity NPC469550
0.8667 High Similarity NPC207516
0.8662 High Similarity NPC149614
0.8662 High Similarity NPC251110
0.8662 High Similarity NPC31363
0.8662 High Similarity NPC227166
0.8659 High Similarity NPC117854
0.8659 High Similarity NPC474024
0.8659 High Similarity NPC477154
0.8659 High Similarity NPC234331
0.8659 High Similarity NPC298847
0.8659 High Similarity NPC6588
0.8659 High Similarity NPC86477
0.8655 High Similarity NPC237202
0.8654 High Similarity NPC473091
0.865 High Similarity NPC275780
0.865 High Similarity NPC293319
0.865 High Similarity NPC239752
0.865 High Similarity NPC472450
0.865 High Similarity NPC267153
0.8645 High Similarity NPC139839
0.8645 High Similarity NPC207729
0.8642 High Similarity NPC471745
0.8642 High Similarity NPC144843
0.8642 High Similarity NPC52204
0.8642 High Similarity NPC93739
0.8642 High Similarity NPC472964
0.8642 High Similarity NPC476371
0.8642 High Similarity NPC294965
0.8642 High Similarity NPC220912
0.8642 High Similarity NPC42797
0.8642 High Similarity NPC476372
0.8642 High Similarity NPC473445
0.8642 High Similarity NPC249070
0.8636 High Similarity NPC287275
0.8634 High Similarity NPC471973
0.8634 High Similarity NPC203020
0.8634 High Similarity NPC130955
0.8634 High Similarity NPC320359
0.8634 High Similarity NPC36217
0.8634 High Similarity NPC239966
0.8634 High Similarity NPC472902
0.8634 High Similarity NPC471744
0.8631 High Similarity NPC267549
0.8625 High Similarity NPC217677
0.8625 High Similarity NPC1913
0.8625 High Similarity NPC165977
0.8625 High Similarity NPC36852
0.8625 High Similarity NPC469584
0.8625 High Similarity NPC262286
0.8625 High Similarity NPC135222

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC247713 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
0.9799 High Similarity NPD1465 Phase 2
0.9038 High Similarity NPD4868 Clinical (unspecified phase)
0.872 High Similarity NPD5844 Phase 1
0.8608 High Similarity NPD1934 Approved
0.8528 High Similarity NPD6232 Discontinued
0.8503 High Similarity NPD7993 Clinical (unspecified phase)
0.8438 Intermediate Similarity NPD2801 Approved
0.8424 Intermediate Similarity NPD6166 Phase 2
0.8424 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8424 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8373 Intermediate Similarity NPD7473 Discontinued
0.8333 Intermediate Similarity NPD7074 Phase 3
0.8333 Intermediate Similarity NPD1511 Approved
0.8323 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8274 Intermediate Similarity NPD7054 Approved
0.8272 Intermediate Similarity NPD3817 Phase 2
0.8258 Intermediate Similarity NPD3750 Approved
0.8228 Intermediate Similarity NPD1512 Approved
0.8225 Intermediate Similarity NPD7472 Approved
0.8221 Intermediate Similarity NPD3882 Suspended
0.8214 Intermediate Similarity NPD3818 Discontinued
0.8212 Intermediate Similarity NPD230 Phase 1
0.821 Intermediate Similarity NPD7819 Suspended
0.8187 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8171 Intermediate Similarity NPD3749 Approved
0.8133 Intermediate Similarity NPD6959 Discontinued
0.8129 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.8072 Intermediate Similarity NPD5494 Approved
0.807 Intermediate Similarity NPD6797 Phase 2
0.8061 Intermediate Similarity NPD7075 Discontinued
0.8023 Intermediate Similarity NPD7251 Discontinued
0.8012 Intermediate Similarity NPD6234 Discontinued
0.8 Intermediate Similarity NPD7228 Approved
0.7977 Intermediate Similarity NPD7808 Phase 3
0.7952 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7935 Intermediate Similarity NPD3748 Approved
0.7933 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7917 Intermediate Similarity NPD7199 Phase 2
0.7914 Intermediate Similarity NPD4380 Phase 2
0.7898 Intermediate Similarity NPD1549 Phase 2
0.7881 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7879 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7866 Intermediate Similarity NPD7411 Suspended
0.7857 Intermediate Similarity NPD447 Suspended
0.784 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7834 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7834 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7824 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7818 Intermediate Similarity NPD6801 Discontinued
0.7818 Intermediate Similarity NPD37 Approved
0.7809 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7798 Intermediate Similarity NPD919 Approved
0.7792 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7792 Intermediate Similarity NPD1613 Approved
0.7791 Intermediate Similarity NPD1653 Approved
0.7784 Intermediate Similarity NPD4965 Approved
0.7784 Intermediate Similarity NPD4967 Phase 2
0.7784 Intermediate Similarity NPD4966 Approved
0.7778 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7764 Intermediate Similarity NPD6799 Approved
0.7744 Intermediate Similarity NPD3226 Approved
0.774 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7725 Intermediate Similarity NPD5402 Approved
0.7716 Intermediate Similarity NPD2534 Approved
0.7716 Intermediate Similarity NPD2533 Approved
0.7716 Intermediate Similarity NPD2532 Approved
0.7716 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7707 Intermediate Similarity NPD1510 Phase 2
0.7697 Intermediate Similarity NPD6599 Discontinued
0.7688 Intermediate Similarity NPD4628 Phase 3
0.7679 Intermediate Similarity NPD7768 Phase 2
0.7677 Intermediate Similarity NPD943 Approved
0.7677 Intermediate Similarity NPD1240 Approved
0.7644 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD920 Approved
0.7619 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7616 Intermediate Similarity NPD3926 Phase 2
0.7614 Intermediate Similarity NPD6559 Discontinued
0.7614 Intermediate Similarity NPD7685 Pre-registration
0.7607 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD9269 Phase 2
0.7586 Intermediate Similarity NPD3751 Discontinued
0.758 Intermediate Similarity NPD1607 Approved
0.7578 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7548 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7547 Intermediate Similarity NPD1551 Phase 2
0.7546 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7531 Intermediate Similarity NPD6190 Approved
0.7516 Intermediate Similarity NPD1243 Approved
0.7516 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7515 Intermediate Similarity NPD5403 Approved
0.7514 Intermediate Similarity NPD7240 Approved
0.75 Intermediate Similarity NPD2346 Discontinued
0.75 Intermediate Similarity NPD1247 Approved
0.75 Intermediate Similarity NPD5401 Approved
0.7484 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD9494 Approved
0.7438 Intermediate Similarity NPD2796 Approved
0.7438 Intermediate Similarity NPD6100 Approved
0.7438 Intermediate Similarity NPD6099 Approved
0.7438 Intermediate Similarity NPD2935 Discontinued
0.7432 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.743 Intermediate Similarity NPD8312 Approved
0.743 Intermediate Similarity NPD8313 Approved
0.7425 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7414 Intermediate Similarity NPD5242 Approved
0.7412 Intermediate Similarity NPD4288 Approved
0.7407 Intermediate Similarity NPD2800 Approved
0.7405 Intermediate Similarity NPD1933 Approved
0.7396 Intermediate Similarity NPD8151 Discontinued
0.7394 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7394 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7375 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7372 Intermediate Similarity NPD3027 Phase 3
0.7368 Intermediate Similarity NPD1608 Approved
0.7356 Intermediate Similarity NPD3787 Discontinued
0.7356 Intermediate Similarity NPD7229 Phase 3
0.734 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7338 Intermediate Similarity NPD1203 Approved
0.7333 Intermediate Similarity NPD9268 Approved
0.7325 Intermediate Similarity NPD3764 Approved
0.731 Intermediate Similarity NPD5353 Approved
0.7303 Intermediate Similarity NPD422 Phase 1
0.7299 Intermediate Similarity NPD8127 Discontinued
0.7284 Intermediate Similarity NPD7266 Discontinued
0.7273 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD4308 Phase 3
0.7257 Intermediate Similarity NPD5710 Approved
0.7257 Intermediate Similarity NPD5711 Approved
0.7251 Intermediate Similarity NPD8455 Phase 2
0.7246 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7231 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7231 Intermediate Similarity NPD7783 Phase 2
0.7229 Intermediate Similarity NPD7390 Discontinued
0.7228 Intermediate Similarity NPD4287 Approved
0.7226 Intermediate Similarity NPD2797 Approved
0.7215 Intermediate Similarity NPD3268 Approved
0.7197 Intermediate Similarity NPD4908 Phase 1
0.7196 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.719 Intermediate Similarity NPD1610 Phase 2
0.7186 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7182 Intermediate Similarity NPD7549 Discontinued
0.7178 Intermediate Similarity NPD2344 Approved
0.7171 Intermediate Similarity NPD17 Approved
0.7167 Intermediate Similarity NPD5953 Discontinued
0.7161 Intermediate Similarity NPD3225 Approved
0.716 Intermediate Similarity NPD2799 Discontinued
0.7152 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD4625 Phase 3
0.7152 Intermediate Similarity NPD7003 Approved
0.7151 Intermediate Similarity NPD7286 Phase 2
0.7143 Intermediate Similarity NPD6273 Approved
0.7143 Intermediate Similarity NPD9717 Approved
0.7135 Intermediate Similarity NPD6386 Approved
0.7135 Intermediate Similarity NPD6385 Approved
0.7125 Intermediate Similarity NPD4060 Phase 1
0.712 Intermediate Similarity NPD8150 Discontinued
0.712 Intermediate Similarity NPD8434 Phase 2
0.7107 Intermediate Similarity NPD2313 Discontinued
0.7107 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7104 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD7177 Discontinued
0.7091 Intermediate Similarity NPD1652 Phase 2
0.7089 Intermediate Similarity NPD6832 Phase 2
0.7081 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD1283 Approved
0.7047 Intermediate Similarity NPD7680 Approved
0.7047 Intermediate Similarity NPD7435 Discontinued
0.7039 Intermediate Similarity NPD9545 Approved
0.7035 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD4307 Phase 2
0.7018 Intermediate Similarity NPD7458 Discontinued
0.7012 Intermediate Similarity NPD5405 Approved
0.7012 Intermediate Similarity NPD5404 Approved
0.7012 Intermediate Similarity NPD5406 Approved
0.7012 Intermediate Similarity NPD5408 Approved
0.7006 Intermediate Similarity NPD3266 Approved
0.7006 Intermediate Similarity NPD3267 Approved
0.7006 Intermediate Similarity NPD2309 Approved
0.7 Intermediate Similarity NPD6798 Discontinued
0.7 Intermediate Similarity NPD411 Approved
0.7 Intermediate Similarity NPD1296 Phase 2
0.6979 Remote Similarity NPD6778 Approved
0.6979 Remote Similarity NPD6776 Approved
0.6979 Remote Similarity NPD6779 Approved
0.6979 Remote Similarity NPD6780 Approved
0.6979 Remote Similarity NPD6782 Approved
0.6979 Remote Similarity NPD6781 Approved
0.6979 Remote Similarity NPD6777 Approved
0.6975 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6975 Remote Similarity NPD5124 Phase 1
0.6975 Remote Similarity NPD6355 Discontinued
0.697 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6946 Remote Similarity NPD8166 Discontinued
0.694 Remote Similarity NPD7038 Approved
0.694 Remote Similarity NPD7039 Approved
0.6933 Remote Similarity NPD6651 Approved
0.6928 Remote Similarity NPD1548 Phase 1
0.6911 Remote Similarity NPD8090 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   13915428
ChEMBL   CHEMBL564351
ZINC  

Physicochemical Properties

Molecular Weight:  316.02
ALogP:  -1.6149
MLogP:  2.23
XLogP:  0.044
# Rotatable Bonds:  5
Polar Surface Area:  122.52
# H-Bond Aceptor:  2
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  23

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs