Natural Product: NPC142027

Natural Product ID:  NPC142027
Common Name:   Aspergillumarin B
IUPAC Name:   (3R)-8-hydroxy-3-[(4S)-4-hydroxypentyl]-3,4-dihydroisochromen-1-one
Synonyms:   Aspergillumarin B
Molecular Formula:   C14H18O4
Standard InCHIKey:  JDIGWVAMJGGRBY-GXSJLCMTSA-N
Standard InCHI:  InChI=1S/C14H18O4/c1-9(15)4-2-6-11-8-10-5-3-7-12(16)13(10)14(17)18-11/h3,5,7,9,11,15-16H,2,4,6,8H2,1H3/t9-,11+/m0/s1
Canonical SMILES:  C[C@@H](CCC[C@H]1OC(=O)c2c(C1)cccc2O)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
NPO2550 Trichoderma citrinum Species Hypocreaceae Eukaryota UNPD*
NPO16329 Potebniamyces gallicola Species Phacidiaceae Eukaryota UNPD*
NPO28821 Stichopus horrens Species Stichopodidae Eukaryota UNPD*
NPO16456 Mirabilis jalapa Species Nyctaginaceae Eukaryota UNPD*
NPO13013 Saccharothrix mutabilis Species Pseudonocardiaceae Bacteria UNPD*
NPO9189 Streptomyces atratus Species Streptomycetaceae Bacteria UNPD*
NPO4336 Echiochilon pauciflorum Species Boraginaceae Eukaryota UNPD*
NPO18073 Justicia trinervia Species Acanthaceae Eukaryota UNPD*
NPO4507 Bruguiera gymnorhiza Species Rhizophoraceae Eukaryota UNPD*
NPO17999 Sonneratia alba Species Lythraceae Eukaryota UNPD*
NPO13789 Paranephelius uniflorus Species Asteraceae Eukaryota UNPD*
NPO28319 Ulva prolifera Species Ulvaceae Eukaryota UNPD*
NPO16455 Xylopia aethiopica Species Annonaceae Eukaryota UNPD*
NPO15004 Artemisia taurica Species Asteraceae Eukaryota UNPD*
NPO17844 Agaricus integer Species Agaricaceae Eukaryota UNPD*
NPO8010 Otostegia fruticosa Species Lamiaceae Eukaryota UNPD*
NPO11760 Teucrium orientale Species Lamiaceae Eukaryota UNPD*
NPO21437 Rhododendron aureum Species Ericaceae Eukaryota UNPD*
NPO5119 Pseudomonas chlororaphis Species Pseudomonadaceae Bacteria UNPD*
NPO7905 Lepista irina Species Tricholomataceae Eukaryota UNPD*
NPO16566 Cinnamosma madagascariensis Species Canellaceae Eukaryota UNPD*
NPO17339 Macaranga sinensis Species Euphorbiaceae Eukaryota UNPD*
NPO11408 Podocarpus amarus Species Podocarpaceae Eukaryota UNPD*
NPO14575 Periploca forrestii Species Cosmopterigidae Eukaryota UNPD*
NPO16923 Cereus chrysacanthus Species Sagartiidae Eukaryota UNPD*
NPO26788 Sophora viciifolia Species Fabaceae Eukaryota UNPD*
NPO17145 Aegiceras corniculatum Species Primulaceae Eukaryota UNPD*
NPO2155 Tephroseris integrifolia Species Asteraceae Eukaryota UNPD*
NPO22097 Plakinastrella clathrata Species Plakinidae Eukaryota UNPD*
NPO16812 Ajuga bracteosa Species Lamiaceae Eukaryota UNPD*
NPO28868 Pardachirus pavoninus Species Soleidae Eukaryota UNPD*
NPO84 Isoberlinia angolensis Species Fabaceae Eukaryota UNPD*
NPO15545 Veltheimia viridifolia Species Hyacinthaceae Eukaryota UNPD*
NPO15748 Hypoxis nyasica Species Hypoxidaceae Eukaryota UNPD*
NPO10770 Ptilota pectinata Species Ceramiaceae Eukaryota UNPD*
NPO17921 Allium monspessulanum Species Amaryllidaceae Eukaryota UNPD*
NPO16215 Umbilicaria cinereorufescens Species Umbilicariaceae Eukaryota UNPD*
NPO17071 Coeloseira pacifica Species Champiaceae Eukaryota UNPD*
NPO25550 Buchenavia tetraphylla Species Combretaceae Eukaryota UNPD*
NPO15599 Daldinia concentrica Species Xylariaceae Eukaryota UNPD*
NPO16052 Chromodoris obsoleta Species Chromodorididae Eukaryota UNPD*
NPO14813 Agaricus silvaticus Species Agaricaceae Eukaryota UNPD*
NPO17304 Sipunculus nudus Species Sipunculidae Eukaryota UNPD*
NPO17375 Ceramium botryocarpum Species Ceramiaceae Eukaryota UNPD*
NPO17218 Helichrysum nudifolium Species Asteraceae Eukaryota UNPD*
NPO16695 Fumaria kraliki Species Papaveraceae Eukaryota UNPD*
NPO17602 Arbutus menziesii Species Ericaceae Eukaryota UNPD*
NPO14002 Petalostemon purpureum Species Fabaceae Eukaryota UNPD*
NPO15919 Streptomyces caelestis Species Streptomycetaceae Bacteria UNPD*
NPO9951 Hyella caespitosa Species Hyellaceae Bacteria 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 NPC142027 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 NPC27407
0.9688 High Similarity NPC214702
0.9688 High Similarity NPC470831
0.9474 High Similarity NPC197666
0.9474 High Similarity NPC126739
0.947 High Similarity NPC291454
0.9398 High Similarity NPC301915
0.9398 High Similarity NPC261292
0.9328 High Similarity NPC221104
0.9328 High Similarity NPC94248
0.9328 High Similarity NPC212693
0.9328 High Similarity NPC472602
0.9323 High Similarity NPC235115
0.927 High Similarity NPC469542
0.9265 High Similarity NPC470842
0.9265 High Similarity NPC472604
0.9265 High Similarity NPC472605
0.9265 High Similarity NPC53649
0.9265 High Similarity NPC158634
0.9259 High Similarity NPC139634
0.9259 High Similarity NPC32360
0.9259 High Similarity NPC105456
0.9254 High Similarity NPC70380
0.9203 High Similarity NPC151607
0.9203 High Similarity NPC42540
0.9191 High Similarity NPC472601
0.9191 High Similarity NPC155205
0.9191 High Similarity NPC472600
0.9191 High Similarity NPC158472
0.9185 High Similarity NPC478200
0.9185 High Similarity NPC33144
0.9185 High Similarity NPC191835
0.9173 High Similarity NPC474097
0.913 High Similarity NPC471731
0.913 High Similarity NPC159721
0.913 High Similarity NPC478202
0.9124 High Similarity NPC472603
0.9124 High Similarity NPC313123
0.9124 High Similarity NPC478217
0.9118 High Similarity NPC268052
0.9118 High Similarity NPC88269
0.9111 High Similarity NPC71256
0.9098 High Similarity NPC153783
0.9098 High Similarity NPC43627
0.9071 High Similarity NPC473023
0.9058 High Similarity NPC469579
0.9058 High Similarity NPC474385
0.9058 High Similarity NPC471733
0.9015 High Similarity NPC473271
0.9 High Similarity NPC83272
0.8993 High Similarity NPC472610
0.8993 High Similarity NPC51106
0.8986 High Similarity NPC478201
0.8986 High Similarity NPC1704
0.8986 High Similarity NPC149533
0.8986 High Similarity NPC130485
0.8986 High Similarity NPC244923
0.8986 High Similarity NPC67650
0.8986 High Similarity NPC472035
0.8947 High Similarity NPC7012
0.8947 High Similarity NPC219892
0.8947 High Similarity NPC189823
0.8929 High Similarity NPC86373
0.8929 High Similarity NPC280404
0.8929 High Similarity NPC210425
0.8929 High Similarity NPC277426
0.8923 High Similarity NPC167055
0.8923 High Similarity NPC240744
0.8905 High Similarity NPC475974
0.8889 High Similarity NPC70016
0.8889 High Similarity NPC215921
0.8889 High Similarity NPC175943
0.8881 High Similarity NPC237440
0.8881 High Similarity NPC470160
0.8881 High Similarity NPC476389
0.8881 High Similarity NPC270160
0.8873 High Similarity NPC471734
0.8865 High Similarity NPC257558
0.8857 High Similarity NPC472006
0.8849 High Similarity NPC475730
0.8846 High Similarity NPC265910
0.8846 High Similarity NPC91475
0.8841 High Similarity NPC295339
0.8841 High Similarity NPC474655
0.8841 High Similarity NPC52358
0.8841 High Similarity NPC247409
0.8832 High Similarity NPC474849
0.8832 High Similarity NPC178467
0.8832 High Similarity NPC135837
0.8832 High Similarity NPC474771
0.8832 High Similarity NPC65837
0.8832 High Similarity NPC149372
0.8832 High Similarity NPC194579
0.8824 High Similarity NPC470844
0.8811 High Similarity NPC221352
0.8803 High Similarity NPC471735
0.8794 High Similarity NPC210966
0.8794 High Similarity NPC478203
0.8794 High Similarity NPC126882
0.8786 High Similarity NPC250755
0.8786 High Similarity NPC82913
0.8777 High Similarity NPC168471
0.8768 High Similarity NPC61590
0.8768 High Similarity NPC9121
0.8768 High Similarity NPC177307
0.8759 High Similarity NPC50455
0.8759 High Similarity NPC158481
0.875 High Similarity NPC77325
0.875 High Similarity NPC476684
0.875 High Similarity NPC4423
0.8741 High Similarity NPC472036
0.8741 High Similarity NPC476463
0.8741 High Similarity NPC210320
0.8732 High Similarity NPC472034
0.8714 High Similarity NPC257003
0.8714 High Similarity NPC37530
0.8705 High Similarity NPC476477
0.8705 High Similarity NPC111422
0.8705 High Similarity NPC275356
0.8705 High Similarity NPC299405
0.8705 High Similarity NPC256463
0.8705 High Similarity NPC92655
0.8705 High Similarity NPC29771
0.8705 High Similarity NPC216312
0.8705 High Similarity NPC306835
0.8705 High Similarity NPC471602
0.8699 High Similarity NPC167903
0.869 High Similarity NPC469670
0.869 High Similarity NPC56204
0.869 High Similarity NPC469619
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 NPC240622
0.8681 High Similarity NPC240253
0.8671 High Similarity NPC107625
0.8671 High Similarity NPC472033
0.8662 High Similarity NPC103910
0.8647 High Similarity NPC181715
0.8643 High Similarity NPC64664
0.8643 High Similarity NPC220496
0.8643 High Similarity NPC42262
0.8643 High Similarity NPC147542
0.8643 High Similarity NPC241349
0.8643 High Similarity NPC327916
0.8643 High Similarity NPC37992
0.8643 High Similarity NPC32749
0.8643 High Similarity NPC99441
0.8639 High Similarity NPC281477
0.8633 High Similarity NPC472403
0.863 High Similarity NPC240768
0.863 High Similarity NPC200773
0.8623 High Similarity NPC472599
0.8623 High Similarity NPC156967
0.8611 High Similarity NPC81835
0.8611 High Similarity NPC166583
0.8611 High Similarity NPC53362
0.8603 High Similarity NPC477406
0.8601 High Similarity NPC473692
0.8601 High Similarity NPC134621
0.8593 High Similarity NPC247477
0.8593 High Similarity NPC17840
0.8592 High Similarity NPC21873
0.8592 High Similarity NPC476473
0.8582 High Similarity NPC473744
0.8582 High Similarity NPC90411
0.8582 High Similarity NPC471444
0.8581 High Similarity NPC82592
0.8581 High Similarity NPC16082
0.8571 High Similarity NPC295646
0.8571 High Similarity NPC478224
0.8562 High Similarity NPC475407
0.8562 High Similarity NPC472891
0.8561 High Similarity NPC245058
0.8552 High Similarity NPC153417
0.8542 High Similarity NPC163846
0.8542 High Similarity NPC225173
0.8542 High Similarity NPC267509
0.8542 High Similarity NPC237208
0.8538 High Similarity NPC272454
0.8538 High Similarity NPC26433
0.8538 High Similarity NPC159760
0.8538 High Similarity NPC35856
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
0.8538 High Similarity NPC178395
0.8531 High Similarity NPC274085
0.8531 High Similarity NPC66404
0.8531 High Similarity NPC95123
0.8531 High Similarity NPC89664
0.8527 High Similarity NPC233165
0.8527 High Similarity NPC328459
0.8527 High Similarity NPC90522

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC142027 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)
0.8295 Intermediate Similarity NPD9493 Approved
0.8267 Intermediate Similarity NPD7819 Suspended
0.8219 Intermediate Similarity NPD2533 Approved
0.8219 Intermediate Similarity NPD2534 Approved
0.8219 Intermediate Similarity NPD2532 Approved
0.8168 Intermediate Similarity NPD9545 Approved
0.8112 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8112 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8056 Intermediate Similarity NPD1549 Phase 2
0.8042 Intermediate Similarity NPD2935 Discontinued
0.7972 Intermediate Similarity NPD1510 Phase 2
0.7945 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7943 Intermediate Similarity NPD1240 Approved
0.7926 Intermediate Similarity NPD1201 Approved
0.7917 Intermediate Similarity NPD1551 Phase 2
0.7908 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7887 Intermediate Similarity NPD230 Phase 1
0.7871 Intermediate Similarity NPD7075 Discontinued
0.7868 Intermediate Similarity NPD9717 Approved
0.7852 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7843 Intermediate Similarity NPD1934 Approved
0.7832 Intermediate Similarity NPD1607 Approved
0.7829 Intermediate Similarity NPD4380 Phase 2
0.7826 Intermediate Similarity NPD1203 Approved
0.7826 Intermediate Similarity NPD1470 Approved
0.7823 Intermediate Similarity NPD4628 Phase 3
0.7801 Intermediate Similarity NPD3764 Approved
0.7793 Intermediate Similarity NPD5406 Approved
0.7793 Intermediate Similarity NPD5405 Approved
0.7793 Intermediate Similarity NPD5408 Approved
0.7793 Intermediate Similarity NPD5404 Approved
0.7792 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7785 Intermediate Similarity NPD6232 Discontinued
0.7778 Intermediate Similarity NPD7411 Suspended
0.7763 Intermediate Similarity NPD3226 Approved
0.7763 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7744 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7742 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.774 Intermediate Similarity NPD2346 Discontinued
0.7737 Intermediate Similarity NPD1608 Approved
0.7733 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7724 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7724 Intermediate Similarity NPD7033 Discontinued
0.7722 Intermediate Similarity NPD6959 Discontinued
0.7711 Intermediate Similarity NPD8150 Discontinued
0.7703 Intermediate Similarity NPD3750 Approved
0.7676 Intermediate Similarity NPD411 Approved
0.7674 Intermediate Similarity NPD9266 Approved
0.7674 Intermediate Similarity NPD74 Approved
0.7673 Intermediate Similarity NPD5711 Approved
0.7673 Intermediate Similarity NPD5710 Approved
0.7671 Intermediate Similarity NPD2796 Approved
0.7667 Intermediate Similarity NPD6799 Approved
0.766 Intermediate Similarity NPD6832 Phase 2
0.7654 Intermediate Similarity NPD5844 Phase 1
0.7643 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7643 Intermediate Similarity NPD3749 Approved
0.764 Intermediate Similarity NPD7473 Discontinued
0.7639 Intermediate Similarity NPD447 Suspended
0.7635 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7613 Intermediate Similarity NPD6801 Discontinued
0.7597 Intermediate Similarity NPD9263 Approved
0.7597 Intermediate Similarity NPD9264 Approved
0.7597 Intermediate Similarity NPD6599 Discontinued
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)
0.7578 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7578 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7578 Intermediate Similarity NPD6166 Phase 2
0.7578 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7571 Intermediate Similarity NPD1164 Approved
0.7569 Intermediate Similarity NPD943 Approved
0.7552 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.755 Intermediate Similarity NPD1511 Approved
0.7529 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7518 Intermediate Similarity NPD17 Approved
0.7517 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD5402 Approved
0.7516 Intermediate Similarity NPD5403 Approved
0.7516 Intermediate Similarity NPD3817 Phase 2
0.75 Intermediate Similarity NPD7074 Phase 3
0.75 Intermediate Similarity NPD520 Approved
0.7483 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD2799 Discontinued
0.7468 Intermediate Similarity NPD3882 Suspended
0.7452 Intermediate Similarity NPD2801 Approved
0.7451 Intermediate Similarity NPD1512 Approved
0.7447 Intermediate Similarity NPD2797 Approved
0.7439 Intermediate Similarity NPD7054 Approved
0.7434 Intermediate Similarity NPD7390 Discontinued
0.7432 Intermediate Similarity NPD6100 Approved
0.7432 Intermediate Similarity NPD6099 Approved
0.7431 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7431 Intermediate Similarity NPD3268 Approved
0.7425 Intermediate Similarity NPD8312 Approved
0.7425 Intermediate Similarity NPD8313 Approved
0.741 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7394 Intermediate Similarity NPD2798 Approved
0.7394 Intermediate Similarity NPD7472 Approved
0.7394 Intermediate Similarity NPD1019 Discontinued
0.7391 Intermediate Similarity NPD1778 Approved
0.7386 Intermediate Similarity NPD5401 Approved
0.7386 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7378 Intermediate Similarity NPD3818 Discontinued
0.7365 Intermediate Similarity NPD3748 Approved
0.7365 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7349 Intermediate Similarity NPD6797 Phase 2
0.7342 Intermediate Similarity NPD1465 Phase 2
0.7333 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD9281 Approved
0.7328 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD2313 Discontinued
0.7305 Intermediate Similarity NPD7251 Discontinued
0.7305 Intermediate Similarity NPD6559 Discontinued
0.7303 Intermediate Similarity NPD6190 Approved
0.7293 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.729 Intermediate Similarity NPD920 Approved
0.7287 Intermediate Similarity NPD9261 Approved
0.7285 Intermediate Similarity NPD2800 Approved
0.7285 Intermediate Similarity NPD1243 Approved
0.7267 Intermediate Similarity NPD6004 Phase 3
0.7267 Intermediate Similarity NPD2344 Approved
0.7267 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD6005 Phase 3
0.7267 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD6002 Phase 3
0.7266 Intermediate Similarity NPD4626 Approved
0.7262 Intermediate Similarity NPD7808 Phase 3
0.7255 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7254 Intermediate Similarity NPD1283 Approved
0.7248 Intermediate Similarity NPD4308 Phase 3
0.723 Intermediate Similarity NPD6651 Approved
0.7226 Intermediate Similarity NPD6273 Approved
0.7222 Intermediate Similarity NPD5494 Approved
0.7208 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7194 Intermediate Similarity NPD5691 Approved
0.7181 Intermediate Similarity NPD4978 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD5048 Discontinued
0.7169 Intermediate Similarity NPD7177 Discontinued
0.7163 Intermediate Similarity NPD422 Phase 1
0.7162 Intermediate Similarity NPD1933 Approved
0.7161 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD919 Approved
0.7153 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD6663 Approved
0.7143 Intermediate Similarity NPD6534 Approved
0.7143 Intermediate Similarity NPD2182 Approved
0.7143 Intermediate Similarity NPD5953 Discontinued
0.7143 Intermediate Similarity NPD6535 Approved
0.7133 Intermediate Similarity NPD3225 Approved
0.7124 Intermediate Similarity NPD7003 Approved
0.7113 Intermediate Similarity NPD9269 Phase 2
0.7111 Intermediate Similarity NPD7435 Discontinued
0.711 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7103 Intermediate Similarity NPD5736 Approved
0.7095 Intermediate Similarity NPD4060 Phase 1
0.7092 Intermediate Similarity NPD3496 Discontinued
0.7086 Intermediate Similarity NPD6212 Phase 3
0.7086 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7086 Intermediate Similarity NPD6213 Phase 3
0.7083 Intermediate Similarity NPD3267 Approved
0.7083 Intermediate Similarity NPD3266 Approved
0.7078 Intermediate Similarity NPD2309 Approved
0.7073 Intermediate Similarity NPD7199 Phase 2
0.7072 Intermediate Similarity NPD8319 Approved
0.7072 Intermediate Similarity NPD8320 Phase 1
0.7071 Intermediate Similarity NPD9268 Approved
0.7066 Intermediate Similarity NPD3751 Discontinued
0.7063 Intermediate Similarity NPD37 Approved
0.7051 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7047 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7047 Intermediate Similarity NPD6355 Discontinued
0.7047 Intermediate Similarity NPD5124 Phase 1
0.7042 Intermediate Similarity NPD1281 Approved
0.7039 Intermediate Similarity NPD6780 Approved
0.7039 Intermediate Similarity NPD6776 Approved
0.7039 Intermediate Similarity NPD6777 Approved
0.7039 Intermediate Similarity NPD7266 Discontinued
0.7039 Intermediate Similarity NPD6781 Approved
0.7039 Intermediate Similarity NPD5762 Approved
0.7039 Intermediate Similarity NPD6779 Approved
0.7039 Intermediate Similarity NPD6778 Approved
0.7039 Intermediate Similarity NPD5763 Approved
0.7039 Intermediate Similarity NPD6782 Approved
0.7037 Intermediate Similarity NPD4966 Approved
0.7037 Intermediate Similarity NPD4965 Approved
0.7037 Intermediate Similarity NPD4967 Phase 2
0.7032 Intermediate Similarity NPD3300 Phase 2
0.703 Intermediate Similarity NPD3787 Discontinued
0.7024 Intermediate Similarity NPD7286 Phase 2
0.7022 Intermediate Similarity NPD7699 Phase 2
0.7022 Intermediate Similarity NPD7700 Phase 2
0.7013 Intermediate Similarity NPD8166 Discontinued
0.7007 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD4625 Phase 3
0.6986 Remote Similarity NPD9494 Approved

Structure

External Identifiers

PubChem CID   38347996
ChEMBL   CHEMBL2332661
ZINC  

Physicochemical Properties

Molecular Weight:  250.12
ALogP:  -1.8628
MLogP:  2.56
XLogP:  2.855
# Rotatable Bonds:  7
Polar Surface Area:  66.76
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  18

Download Data

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General Info & Identifiers & Properties  
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Biological Activities  
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