Natural Product: NPC27407

Natural Product ID:  NPC27407
Common Name:   Aspergillumarin A
IUPAC Name:   (3R)-8-hydroxy-3-(4-oxopentyl)-3,4-dihydroisochromen-1-one
Synonyms:   Aspergillumarin A
Molecular Formula:   C14H16O4
Standard InCHIKey:  KEYNBOUNPFJEST-LLVKDONJSA-N
Standard InCHI:  InChI=1S/C14H16O4/c1-9(15)4-2-6-11-8-10-5-3-7-12(16)13(10)14(17)18-11/h3,5,7,11,16H,2,4,6,8H2,1H3/t11-/m1/s1
Canonical SMILES:  CC(=O)CCC[C@@H]1Cc2cccc(c2C(=O)O1)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
NPO16215 Umbilicaria cinereorufescens Species Umbilicariaceae Eukaryota UNPD*
NPO2550 Trichoderma citrinum Species Hypocreaceae Eukaryota UNPD*
NPO16566 Cinnamosma madagascariensis Species Canellaceae Eukaryota UNPD*
NPO11408 Podocarpus amarus Species Podocarpaceae Eukaryota UNPD*
NPO84 Isoberlinia angolensis Species Fabaceae Eukaryota UNPD*
NPO4507 Bruguiera gymnorhiza Species Rhizophoraceae Eukaryota UNPD*
NPO15004 Artemisia taurica Species Asteraceae Eukaryota UNPD*
NPO15599 Daldinia concentrica Species Xylariaceae Eukaryota UNPD*
NPO17999 Sonneratia alba Species Lythraceae Eukaryota UNPD*
NPO22097 Plakinastrella clathrata Species Plakinidae Eukaryota UNPD*
NPO4336 Echiochilon pauciflorum Species Boraginaceae Eukaryota UNPD*
NPO28319 Ulva prolifera Species Ulvaceae Eukaryota UNPD*
NPO26788 Sophora viciifolia Species Fabaceae Eukaryota UNPD*
NPO18073 Justicia trinervia Species Acanthaceae Eukaryota UNPD*
NPO16329 Potebniamyces gallicola Species Phacidiaceae Eukaryota UNPD*
NPO25550 Buchenavia tetraphylla Species Combretaceae Eukaryota UNPD*
NPO9189 Streptomyces atratus Species Streptomycetaceae Bacteria UNPD*
NPO17218 Helichrysum nudifolium Species Asteraceae Eukaryota UNPD*
NPO28868 Pardachirus pavoninus Species Soleidae Eukaryota UNPD*
NPO17071 Coeloseira pacifica Species Champiaceae Eukaryota UNPD*
NPO17304 Sipunculus nudus Species Sipunculidae Eukaryota UNPD*
NPO17844 Agaricus integer Species Agaricaceae Eukaryota UNPD*
NPO17602 Arbutus menziesii Species Ericaceae Eukaryota UNPD*
NPO15545 Veltheimia viridifolia Species Hyacinthaceae Eukaryota UNPD*
NPO16695 Fumaria kraliki Species Papaveraceae Eukaryota UNPD*
NPO16456 Mirabilis jalapa Species Nyctaginaceae Eukaryota UNPD*
NPO14002 Petalostemon purpureum Species Fabaceae Eukaryota UNPD*
NPO16923 Cereus chrysacanthus Species Sagartiidae Eukaryota UNPD*
NPO7905 Lepista irina Species Tricholomataceae Eukaryota UNPD*
NPO13013 Saccharothrix mutabilis Species Pseudonocardiaceae Bacteria UNPD*
NPO11760 Teucrium orientale Species Lamiaceae Eukaryota UNPD*
NPO16455 Xylopia aethiopica Species Annonaceae Eukaryota UNPD*
NPO15919 Streptomyces caelestis Species Streptomycetaceae Bacteria UNPD*
NPO17145 Aegiceras corniculatum Species Primulaceae Eukaryota UNPD*
NPO16812 Ajuga bracteosa Species Lamiaceae Eukaryota UNPD*
NPO16052 Chromodoris obsoleta Species Chromodorididae Eukaryota UNPD*
NPO21437 Rhododendron aureum Species Ericaceae Eukaryota UNPD*
NPO17339 Macaranga sinensis Species Euphorbiaceae Eukaryota UNPD*
NPO2155 Tephroseris integrifolia Species Asteraceae Eukaryota UNPD*
NPO17921 Allium monspessulanum Species Amaryllidaceae Eukaryota UNPD*
NPO15748 Hypoxis nyasica Species Hypoxidaceae Eukaryota UNPD*
NPO8010 Otostegia fruticosa Species Lamiaceae Eukaryota UNPD*
NPO9951 Hyella caespitosa Species Hyellaceae Bacteria UNPD*
NPO13789 Paranephelius uniflorus Species Asteraceae Eukaryota UNPD*
NPO5119 Pseudomonas chlororaphis Species Pseudomonadaceae Bacteria UNPD*
NPO14813 Agaricus silvaticus Species Agaricaceae Eukaryota UNPD*
NPO14575 Periploca forrestii Species Cosmopterigidae Eukaryota UNPD*
NPO10770 Ptilota pectinata Species Ceramiaceae Eukaryota UNPD*
NPO28821 Stichopus horrens Species Stichopodidae Eukaryota UNPD*
NPO17375 Ceramium botryocarpum Species Ceramiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT565 Organism Vibrio parahaemolyticus Vibrio parahaemolyticus MIC > 25000 nM 23477451
NPT314 Organism Bacillus cereus Bacillus cereus MIC > 25000 nM 23477451
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 25000 nM 23477451
NPT1238 Organism Staphylococcus Staphylococcus MIC = 12500 nM 23477451

  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 NPC27407 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
0.9845 High Similarity NPC142027
0.9688 High Similarity NPC470831
0.9688 High Similarity NPC214702
0.947 High Similarity NPC291454
0.9398 High Similarity NPC261292
0.9398 High Similarity NPC301915
0.9328 High Similarity NPC472602
0.9328 High Similarity NPC191835
0.9328 High Similarity NPC221104
0.9328 High Similarity NPC33144
0.9328 High Similarity NPC478200
0.9328 High Similarity NPC197666
0.9328 High Similarity NPC126739
0.9323 High Similarity NPC235115
0.927 High Similarity NPC478202
0.9265 High Similarity NPC478217
0.9265 High Similarity NPC472603
0.9265 High Similarity NPC313123
0.9265 High Similarity NPC470842
0.9265 High Similarity NPC53649
0.9254 High Similarity NPC70380
0.9242 High Similarity NPC43627
0.9203 High Similarity NPC151607
0.9203 High Similarity NPC42540
0.9191 High Similarity NPC472601
0.9191 High Similarity NPC472600
0.9191 High Similarity NPC155205
0.9185 High Similarity NPC212693
0.9185 High Similarity NPC94248
0.9173 High Similarity NPC474097
0.913 High Similarity NPC159721
0.913 High Similarity NPC469542
0.9124 High Similarity NPC472605
0.9124 High Similarity NPC472035
0.9124 High Similarity NPC472604
0.9124 High Similarity NPC478201
0.9124 High Similarity NPC158634
0.9118 High Similarity NPC268052
0.9118 High Similarity NPC32360
0.9118 High Similarity NPC105456
0.9118 High Similarity NPC88269
0.9118 High Similarity NPC139634
0.9111 High Similarity NPC71256
0.9098 High Similarity NPC153783
0.9051 High Similarity NPC158472
0.9015 High Similarity NPC473271
0.8993 High Similarity NPC471731
0.8993 High Similarity NPC472610
0.8993 High Similarity NPC472006
0.8986 High Similarity NPC1704
0.8986 High Similarity NPC149533
0.8986 High Similarity NPC244923
0.8986 High Similarity NPC67650
0.8978 High Similarity NPC52358
0.8978 High Similarity NPC295339
0.8971 High Similarity NPC178467
0.8971 High Similarity NPC474771
0.8971 High Similarity NPC474849
0.8971 High Similarity NPC65837
0.8971 High Similarity NPC149372
0.8947 High Similarity NPC7012
0.8947 High Similarity NPC219892
0.8947 High Similarity NPC189823
0.8936 High Similarity NPC473023
0.8929 High Similarity NPC478203
0.8929 High Similarity NPC126882
0.8929 High Similarity NPC210966
0.8921 High Similarity NPC471733
0.8921 High Similarity NPC469579
0.8921 High Similarity NPC474385
0.8905 High Similarity NPC61590
0.8905 High Similarity NPC177307
0.8905 High Similarity NPC9121
0.8905 High Similarity NPC475974
0.8889 High Similarity NPC175943
0.8881 High Similarity NPC476389
0.8865 High Similarity NPC472034
0.8865 High Similarity NPC257558
0.8865 High Similarity NPC83272
0.8857 High Similarity NPC51106
0.8849 High Similarity NPC130485
0.8849 High Similarity NPC257003
0.8849 High Similarity NPC475730
0.8846 High Similarity NPC265910
0.8846 High Similarity NPC91475
0.8841 High Similarity NPC256463
0.8841 High Similarity NPC111422
0.8841 High Similarity NPC29771
0.8841 High Similarity NPC92655
0.8841 High Similarity NPC216312
0.8841 High Similarity NPC474655
0.8841 High Similarity NPC476477
0.8841 High Similarity NPC471602
0.8841 High Similarity NPC299405
0.8841 High Similarity NPC306835
0.8832 High Similarity NPC135837
0.8832 High Similarity NPC194579
0.8824 High Similarity NPC470844
0.8803 High Similarity NPC472033
0.8803 High Similarity NPC107625
0.8794 High Similarity NPC210425
0.8794 High Similarity NPC280404
0.8794 High Similarity NPC277426
0.8794 High Similarity NPC86373
0.8786 High Similarity NPC250755
0.8779 High Similarity NPC240744
0.8779 High Similarity NPC167055
0.8777 High Similarity NPC327916
0.8777 High Similarity NPC37992
0.8777 High Similarity NPC168471
0.8777 High Similarity NPC32749
0.8777 High Similarity NPC42262
0.8777 High Similarity NPC241349
0.8777 High Similarity NPC220496
0.8777 High Similarity NPC147542
0.8768 High Similarity NPC472403
0.8759 High Similarity NPC50455
0.8759 High Similarity NPC158481
0.8759 High Similarity NPC70016
0.8759 High Similarity NPC215921
0.875 High Similarity NPC270160
0.875 High Similarity NPC77325
0.875 High Similarity NPC237440
0.875 High Similarity NPC4423
0.8741 High Similarity NPC477406
0.8741 High Similarity NPC471734
0.8741 High Similarity NPC470160
0.8741 High Similarity NPC472036
0.8741 High Similarity NPC476463
0.8741 High Similarity NPC210320
0.8732 High Similarity NPC473692
0.8723 High Similarity NPC21873
0.8723 High Similarity NPC476473
0.8714 High Similarity NPC37530
0.8714 High Similarity NPC471444
0.8705 High Similarity NPC275356
0.8705 High Similarity NPC247409
0.869 High Similarity NPC472891
0.869 High Similarity NPC56204
0.8686 High Similarity NPC180905
0.8686 High Similarity NPC182496
0.8681 High Similarity NPC73411
0.8681 High Similarity NPC471642
0.8681 High Similarity NPC215711
0.8681 High Similarity NPC471641
0.8681 High Similarity NPC221352
0.8681 High Similarity NPC240622
0.8681 High Similarity NPC240253
0.8671 High Similarity NPC471735
0.8662 High Similarity NPC89664
0.8662 High Similarity NPC103910
0.8662 High Similarity NPC274085
0.8652 High Similarity NPC82913
0.8652 High Similarity NPC474300
0.8647 High Similarity NPC181715
0.8643 High Similarity NPC99441
0.8623 High Similarity NPC472599
0.8623 High Similarity NPC156967
0.8621 High Similarity NPC476684
0.8621 High Similarity NPC84142
0.8601 High Similarity NPC474630
0.8601 High Similarity NPC312789
0.8601 High Similarity NPC134621
0.8593 High Similarity NPC247477
0.8593 High Similarity NPC17840
0.8592 High Similarity NPC471643
0.8592 High Similarity NPC471639
0.8592 High Similarity NPC354984
0.8582 High Similarity NPC90411
0.8571 High Similarity NPC295646
0.8571 High Similarity NPC115249
0.8571 High Similarity NPC76041
0.8571 High Similarity NPC478224
0.8571 High Similarity NPC167903
0.8571 High Similarity NPC184284
0.8562 High Similarity NPC164762
0.8562 High Similarity NPC470107
0.8562 High Similarity NPC469670
0.8562 High Similarity NPC469619
0.8561 High Similarity NPC245058
0.8552 High Similarity NPC153417
0.8552 High Similarity NPC94781
0.8551 High Similarity NPC298900
0.855 High Similarity NPC217756
0.8542 High Similarity NPC202112
0.8542 High Similarity NPC225173
0.8542 High Similarity NPC267509
0.8542 High Similarity NPC51513
0.8542 High Similarity NPC237208
0.8542 High Similarity NPC163846
0.8538 High Similarity NPC272454
0.8538 High Similarity NPC26433
0.8538 High Similarity NPC35856
0.8538 High Similarity NPC159760
0.8538 High Similarity NPC179092
0.8538 High Similarity NPC222876
0.8538 High Similarity NPC301987
0.8538 High Similarity NPC292665
0.8538 High Similarity NPC115188
0.8538 High Similarity NPC244994

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC27407 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
0.8705 High Similarity NPD970 Clinical (unspecified phase)
0.8389 Intermediate Similarity NPD7819 Suspended
0.8295 Intermediate Similarity NPD9493 Approved
0.8239 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8239 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8219 Intermediate Similarity NPD2533 Approved
0.8219 Intermediate Similarity NPD2534 Approved
0.8219 Intermediate Similarity NPD2532 Approved
0.8182 Intermediate Similarity NPD1549 Phase 2
0.8168 Intermediate Similarity NPD9545 Approved
0.8099 Intermediate Similarity NPD1510 Phase 2
0.8071 Intermediate Similarity NPD1240 Approved
0.806 Intermediate Similarity NPD1201 Approved
0.8042 Intermediate Similarity NPD2935 Discontinued
0.8026 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7987 Intermediate Similarity NPD7075 Discontinued
0.7961 Intermediate Similarity NPD1934 Approved
0.7958 Intermediate Similarity NPD1607 Approved
0.7956 Intermediate Similarity NPD1470 Approved
0.7945 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7917 Intermediate Similarity NPD1551 Phase 2
0.7908 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7895 Intermediate Similarity NPD7411 Suspended
0.7887 Intermediate Similarity NPD230 Phase 1
0.7881 Intermediate Similarity NPD3226 Approved
0.7879 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7868 Intermediate Similarity NPD9717 Approved
0.7862 Intermediate Similarity NPD2346 Discontinued
0.7857 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7852 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7847 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7834 Intermediate Similarity NPD6959 Discontinued
0.7829 Intermediate Similarity NPD4380 Phase 2
0.7826 Intermediate Similarity NPD1203 Approved
0.7823 Intermediate Similarity NPD3750 Approved
0.7801 Intermediate Similarity NPD3764 Approved
0.7793 Intermediate Similarity NPD5406 Approved
0.7793 Intermediate Similarity NPD2796 Approved
0.7793 Intermediate Similarity NPD5405 Approved
0.7793 Intermediate Similarity NPD5408 Approved
0.7793 Intermediate Similarity NPD5404 Approved
0.7785 Intermediate Similarity NPD6232 Discontinued
0.7785 Intermediate Similarity NPD6799 Approved
0.7756 Intermediate Similarity NPD3749 Approved
0.7755 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.775 Intermediate Similarity NPD7473 Discontinued
0.7737 Intermediate Similarity NPD1608 Approved
0.7733 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7712 Intermediate Similarity NPD6599 Discontinued
0.7711 Intermediate Similarity NPD8150 Discontinued
0.7703 Intermediate Similarity NPD4628 Phase 3
0.7692 Intermediate Similarity NPD943 Approved
0.7688 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7676 Intermediate Similarity NPD411 Approved
0.7674 Intermediate Similarity NPD74 Approved
0.7674 Intermediate Similarity NPD9266 Approved
0.7673 Intermediate Similarity NPD5711 Approved
0.7673 Intermediate Similarity NPD5710 Approved
0.7667 Intermediate Similarity NPD1511 Approved
0.766 Intermediate Similarity NPD6832 Phase 2
0.7647 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7643 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7639 Intermediate Similarity NPD447 Suspended
0.7628 Intermediate Similarity NPD3817 Phase 2
0.7613 Intermediate Similarity NPD6801 Discontinued
0.7603 Intermediate Similarity NPD2799 Discontinued
0.7603 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7603 Intermediate Similarity NPD7033 Discontinued
0.7597 Intermediate Similarity NPD9263 Approved
0.7597 Intermediate Similarity NPD9264 Approved
0.7597 Intermediate Similarity NPD9267 Approved
0.7584 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.758 Intermediate Similarity NPD7768 Phase 2
0.758 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.758 Intermediate Similarity NPD3882 Suspended
0.7578 Intermediate Similarity NPD6166 Phase 2
0.7578 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7578 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7571 Intermediate Similarity NPD1164 Approved
0.7566 Intermediate Similarity NPD1512 Approved
0.7564 Intermediate Similarity NPD2801 Approved
0.7552 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7552 Intermediate Similarity NPD3268 Approved
0.7551 Intermediate Similarity NPD6100 Approved
0.7551 Intermediate Similarity NPD6099 Approved
0.755 Intermediate Similarity NPD7390 Discontinued
0.7546 Intermediate Similarity NPD5844 Phase 1
0.7536 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7529 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7518 Intermediate Similarity NPD17 Approved
0.7518 Intermediate Similarity NPD2798 Approved
0.7517 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD5402 Approved
0.7516 Intermediate Similarity NPD5403 Approved
0.75 Intermediate Similarity NPD7074 Phase 3
0.75 Intermediate Similarity NPD520 Approved
0.75 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD3748 Approved
0.7447 Intermediate Similarity NPD2797 Approved
0.7439 Intermediate Similarity NPD7054 Approved
0.7431 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7431 Intermediate Similarity NPD2313 Discontinued
0.7425 Intermediate Similarity NPD8312 Approved
0.7425 Intermediate Similarity NPD8313 Approved
0.7403 Intermediate Similarity NPD920 Approved
0.74 Intermediate Similarity NPD2800 Approved
0.74 Intermediate Similarity NPD1243 Approved
0.7394 Intermediate Similarity NPD1019 Discontinued
0.7394 Intermediate Similarity NPD7472 Approved
0.7391 Intermediate Similarity NPD1778 Approved
0.7386 Intermediate Similarity NPD5401 Approved
0.7383 Intermediate Similarity NPD2344 Approved
0.7378 Intermediate Similarity NPD3818 Discontinued
0.7368 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7349 Intermediate Similarity NPD6797 Phase 2
0.7347 Intermediate Similarity NPD6651 Approved
0.7342 Intermediate Similarity NPD1465 Phase 2
0.7333 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD9281 Approved
0.7329 Intermediate Similarity NPD5494 Approved
0.7328 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.7305 Intermediate Similarity NPD7251 Discontinued
0.7305 Intermediate Similarity NPD6559 Discontinued
0.7293 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7287 Intermediate Similarity NPD9261 Approved
0.7273 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD919 Approved
0.7266 Intermediate Similarity NPD4626 Approved
0.7262 Intermediate Similarity NPD7808 Phase 3
0.7254 Intermediate Similarity NPD1283 Approved
0.7248 Intermediate Similarity NPD4308 Phase 3
0.7246 Intermediate Similarity NPD5953 Discontinued
0.7209 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7208 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7203 Intermediate Similarity NPD3266 Approved
0.7203 Intermediate Similarity NPD3267 Approved
0.7194 Intermediate Similarity NPD5691 Approved
0.719 Intermediate Similarity NPD6190 Approved
0.719 Intermediate Similarity NPD2309 Approved
0.7181 Intermediate Similarity NPD4978 Clinical (unspecified phase)
0.7169 Intermediate Similarity NPD7177 Discontinued
0.7163 Intermediate Similarity NPD422 Phase 1
0.7162 Intermediate Similarity NPD1933 Approved
0.7152 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD6002 Phase 3
0.7152 Intermediate Similarity NPD6005 Phase 3
0.7152 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD6004 Phase 3
0.7143 Intermediate Similarity NPD6663 Approved
0.7143 Intermediate Similarity NPD6534 Approved
0.7143 Intermediate Similarity NPD6535 Approved
0.7143 Intermediate Similarity NPD3300 Phase 2
0.7143 Intermediate Similarity NPD2182 Approved
0.7143 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD3225 Approved
0.7126 Intermediate Similarity NPD7286 Phase 2
0.7124 Intermediate Similarity NPD7003 Approved
0.7124 Intermediate Similarity NPD8166 Discontinued
0.7115 Intermediate Similarity NPD6273 Approved
0.7113 Intermediate Similarity NPD9269 Phase 2
0.7111 Intermediate Similarity NPD7435 Discontinued
0.7103 Intermediate Similarity NPD5736 Approved
0.7095 Intermediate Similarity NPD4060 Phase 1
0.7092 Intermediate Similarity NPD3496 Discontinued
0.7089 Intermediate Similarity NPD7458 Discontinued
0.7086 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7086 Intermediate Similarity NPD6213 Phase 3
0.7086 Intermediate Similarity NPD6212 Phase 3
0.7072 Intermediate Similarity NPD8320 Phase 1
0.7072 Intermediate Similarity NPD8319 Approved
0.7071 Intermediate Similarity NPD9268 Approved
0.7071 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.707 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7066 Intermediate Similarity NPD3751 Discontinued
0.7051 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7047 Intermediate Similarity NPD6355 Discontinued
0.7045 Intermediate Similarity NPD5048 Discontinued
0.7042 Intermediate Similarity NPD1281 Approved
0.7039 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD6780 Approved
0.7039 Intermediate Similarity NPD6776 Approved
0.7039 Intermediate Similarity NPD6777 Approved
0.7039 Intermediate Similarity NPD6781 Approved
0.7039 Intermediate Similarity NPD1471 Phase 3
0.7039 Intermediate Similarity NPD6778 Approved
0.7039 Intermediate Similarity NPD6782 Approved
0.7039 Intermediate Similarity NPD6779 Approved
0.7034 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD3787 Discontinued
0.7022 Intermediate Similarity NPD7699 Phase 2
0.7022 Intermediate Similarity NPD7700 Phase 2
0.7007 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD4625 Phase 3
0.6993 Remote Similarity NPD3972 Approved
0.6986 Remote Similarity NPD9494 Approved
0.6985 Remote Similarity NPD1609 Clinical (unspecified phase)
0.698 Remote Similarity NPD2979 Phase 3
0.698 Remote Similarity NPD4307 Phase 2
0.6974 Remote Similarity NPD2438 Suspended

Structure

External Identifiers

PubChem CID   38346998
ChEMBL   CHEMBL2332662
ZINC  

Physicochemical Properties

Molecular Weight:  248.10
ALogP:  -1.3345
MLogP:  2.56
XLogP:  2.551
# Rotatable Bonds:  6
Polar Surface Area:  63.6
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  18

Download Data

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Biological Activities  
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