Natural Product: NPC146837

Natural Product ID:  NPC146837
Common Name:   Chrysophanein
IUPAC Name:   8-hydroxy-3-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
Synonyms:   Chrysophanein
Molecular Formula:   C21H20O9
Standard InCHIKey:  QKPDYSSHOSPOKH-JNHRPPPUSA-N
Standard InCHI:  InChI=1S/C21H20O9/c1-8-5-10-15(18(26)14-9(16(10)24)3-2-4-11(14)23)12(6-8)29-21-20(28)19(27)17(25)13(7-22)30-21/h2-6,13,17,19-23,25,27-28H,7H2,1H3/t13-,17-,19+,20-,21-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](Oc2cc(C)cc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1O)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
NPO19232 Anchusa azurea Species Boraginaceae Eukaryota UNPD*
NPO21564 Senecio behnii Species Asteraceae Eukaryota UNPD*
NPO13754 Tanacetum coccineum Species Asteraceae Eukaryota UNPD*
NPO21691 Dillenia indica Species Dilleniaceae Eukaryota UNPD*
NPO20223 Rosa pomifera Species Rosaceae Eukaryota UNPD*
NPO20353 Degenia velebitica Species Brassicaceae Eukaryota UNPD*
NPO17568 Balanophora laxiflora Species Balanophoraceae Eukaryota UNPD*
NPO27737 Penicillium shearii Species Aspergillaceae Eukaryota UNPD*
NPO17856 Anaphalis lactea Species Asteraceae Eukaryota UNPD*
NPO11580 Onobrychis arenaria Species Fabaceae Eukaryota UNPD*
NPO20625 Delphinium virgatum Species Ranunculaceae Eukaryota UNPD*
NPO17336 Benincasa hispida Species Cucurbitaceae Eukaryota UNPD*
NPO19037 Senecio praecox Species Asteraceae Eukaryota UNPD*
NPO16572 Rhododendron dahuricum Species Ericaceae Eukaryota UNPD*
NPO22675 Helichrysum chionosphaerum Species Asteraceae Eukaryota UNPD*
NPO15347 Carlina diae Species Asteraceae Eukaryota UNPD*
NPO24407 Bipolaris heveae Species Pleosporaceae Eukaryota UNPD*
NPO16449 Hincksinoflustra denticulata NA NA NA UNPD*
NPO19395 Nepeta granatensis Species Lamiaceae Eukaryota UNPD*
NPO26917 Quercus rubra Species Fagaceae Eukaryota UNPD*
NPO20844 Sphaerella rosigena NA NA NA UNPD*
NPO20490 Erythrophleum ivorense Species Fabaceae Eukaryota UNPD*
NPO1228 Radix rhei et rhizome Species Lymnaeidae Eukaryota TCMSP*
NPO19996 Caulerpa peltata Species Caulerpaceae Eukaryota UNPD*
NPO20881 Rheum officinale Species Polygonaceae Eukaryota UNPD*
NPO14932.1 Dalbergia lanceolaria subsp. paniculata Subspecies Fabaceae Eukaryota UNPD*
NPO20881 Rheum officinale Species Polygonaceae Eukaryota TCMID*
NPO19512 Gleichenia quadripartita Species Gleicheniaceae Eukaryota UNPD*
NPO7632 Rheum tanguticum Species Polygonaceae Eukaryota TCMID*
NPO19818 Jacquemontia paniculata Species Convolvulaceae Eukaryota UNPD*
NPO7672 Senna tora Species Fabaceae Eukaryota TCMID*
NPO20753 Grangea maderaspatana Species Asteraceae Eukaryota UNPD*
NPO28024 Rheum palmatum Species Polygonaceae Eukaryota TCMID*
NPO10216 Leptocereus quadricostatus Species Cactaceae Eukaryota UNPD*
NPO18339 Rheum wittrocki Species Polygonaceae Eukaryota TCMID*
NPO12755 Siphonostegia chinensis Species Orobanchaceae Eukaryota UNPD*
NPO8921 Senna obtusifolia Species Fabaceae Eukaryota TCMID*
NPO12108 Aizopsis selskiana Species Crassulaceae Eukaryota UNPD*
NPO28024 Rheum palmatum Species Polygonaceae Eukaryota TCM_Taiwan*
NPO20144 Lespedeza tomentosa Species Fabaceae Eukaryota UNPD*
NPO7632 Rheum tanguticum Species Polygonaceae Eukaryota TCM_Taiwan*
NPO2228 Photinia serratifolia Species Rosaceae Eukaryota UNPD*
NPO20422 Albizia myriophylla Species Fabaceae Eukaryota UNPD*
NPO20947 Tagetes filifolia Species Asteraceae Eukaryota UNPD*
NPO20560 Polyporus betulinus Species Polyporaceae Eukaryota UNPD*
NPO21244 Delphinium nuttallianum Species Ranunculaceae Eukaryota UNPD*
NPO16142 Verbascum thapsiforme Species Scrophulariaceae Eukaryota UNPD*
NPO19671 Dipsacus azureus Species Caprifoliaceae Eukaryota UNPD*
NPO14800 Oophaga granulifera Species Dendrobatidae Eukaryota UNPD*
NPO26393.1 Petunia integrifolia subsp. inflata Subspecies Solanaceae Eukaryota UNPD*
NPO88 Rheum undulatum Species Polygonaceae Eukaryota Rhizomes PMID[10714491]
NPO14248 Mandragora autumnalis Species Solanaceae Eukaryota UNPD*
NPO17018 Salvia greggii Species Lamiaceae Eukaryota UNPD*
NPO3019 Rhodophyllus icterinus Species Entolomataceae Eukaryota UNPD*
NPO13454 Amphorogyne spicata Species Amphorogynaceae Eukaryota UNPD*
NPO18867 Stephanitis takeyai Species Tingidae Eukaryota UNPD*
NPO19913 Rhynchophorus ferrugineus Species Curculionidae Eukaryota UNPD*
NPO15422 Carduus tenuiflorus Species Asteraceae Eukaryota UNPD*
NPO18287 Penicillium bilaiae Species Aspergillaceae Eukaryota UNPD*
NPO18144 Metrodorea nigra Species Rutaceae Eukaryota UNPD*
NPO10359 Chaiturus marrubiastrum Species Lamiaceae Eukaryota UNPD*
NPO13246 Pinalia stricta Species Orchidaceae Eukaryota UNPD*
NPO21376 Lupinus corymbosus Species Fabaceae Eukaryota UNPD*
NPO21112 Chaetomium carinthiacum Species Chaetomiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT32 Organism Mus musculus Mus musculus IC50 > 100000 nM 10714491
NPT32 Organism Mus musculus Mus musculus Inhibition = 20 % 10714491
NPT1034 Cell Line Lu1 Homo sapiens ED50 > 5 ug/ml 15043409
NPT858 Cell Line LNCaP Homo sapiens ED50 > 5 ug/ml 15043409
NPT83 Cell Line MCF7 Homo sapiens ED50 > 5 ug/ml 15043409
NPT737 Cell Line HUVEC Homo sapiens ED50 > 5 ug/ml 15043409

  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 NPC146837 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
1.0 High Similarity NPC278329
0.9871 High Similarity NPC178281
0.987 High Similarity NPC101116
0.987 High Similarity NPC212099
0.962 High Similarity NPC63470
0.9503 High Similarity NPC199357
0.9503 High Similarity NPC85368
0.9503 High Similarity NPC203751
0.9441 High Similarity NPC271385
0.9441 High Similarity NPC111536
0.9441 High Similarity NPC76128
0.9441 High Similarity NPC30432
0.9441 High Similarity NPC5029
0.9437 High Similarity NPC246274
0.9387 High Similarity NPC289876
0.9387 High Similarity NPC102053
0.9387 High Similarity NPC475246
0.9367 High Similarity NPC216752
0.9325 High Similarity NPC68381
0.9325 High Similarity NPC3718
0.9325 High Similarity NPC307754
0.9325 High Similarity NPC223735
0.9321 High Similarity NPC315619
0.9317 High Similarity NPC222455
0.9273 High Similarity NPC277710
0.9273 High Similarity NPC153578
0.9273 High Similarity NPC299149
0.9273 High Similarity NPC114257
0.9273 High Similarity NPC58538
0.9268 High Similarity NPC46958
0.9268 High Similarity NPC475233
0.9236 High Similarity NPC177742
0.9217 High Similarity NPC85316
0.9217 High Similarity NPC477860
0.9217 High Similarity NPC197357
0.9217 High Similarity NPC475161
0.9207 High Similarity NPC470667
0.9207 High Similarity NPC186800
0.9157 High Similarity NPC212290
0.9152 High Similarity NPC66820
0.9152 High Similarity NPC198893
0.9152 High Similarity NPC92403
0.9152 High Similarity NPC76112
0.9152 High Similarity NPC314489
0.9152 High Similarity NPC232818
0.9152 High Similarity NPC170018
0.9146 High Similarity NPC98776
0.9141 High Similarity NPC298778
0.913 High Similarity NPC478022
0.913 High Similarity NPC478020
0.9114 High Similarity NPC208651
0.9114 High Similarity NPC206641
0.9107 High Similarity NPC292706
0.9107 High Similarity NPC224557
0.9091 High Similarity NPC146803
0.908 High Similarity NPC259905
0.9074 High Similarity NPC178851
0.9068 High Similarity NPC17432
0.9057 High Similarity NPC53139
0.9053 High Similarity NPC87583
0.9051 High Similarity NPC283480
0.9051 High Similarity NPC148323
0.903 High Similarity NPC472054
0.9006 High Similarity NPC97637
0.9006 High Similarity NPC187934
0.9006 High Similarity NPC61594
0.9006 High Similarity NPC56735
0.9 High Similarity NPC105591
0.8987 High Similarity NPC3449
0.8987 High Similarity NPC82190
0.8987 High Similarity NPC174599
0.8987 High Similarity NPC192219
0.8976 High Similarity NPC474345
0.8951 High Similarity NPC147596
0.8947 High Similarity NPC205721
0.8924 High Similarity NPC205172
0.8924 High Similarity NPC185103
0.8924 High Similarity NPC209393
0.8924 High Similarity NPC470331
0.8916 High Similarity NPC213052
0.8909 High Similarity NPC478021
0.8882 High Similarity NPC328093
0.8876 High Similarity NPC315221
0.8862 High Similarity NPC199533
0.8862 High Similarity NPC470454
0.8855 High Similarity NPC294501
0.8824 High Similarity NPC313452
0.8805 High Similarity NPC92153
0.8805 High Similarity NPC474622
0.8805 High Similarity NPC230439
0.8805 High Similarity NPC299761
0.8805 High Similarity NPC279281
0.8805 High Similarity NPC474621
0.8795 High Similarity NPC241874
0.8786 High Similarity NPC314672
0.878 High Similarity NPC99216
0.8765 High Similarity NPC472320
0.8758 High Similarity NPC23817
0.8757 High Similarity NPC47191
0.875 High Similarity NPC63105
0.875 High Similarity NPC193377
0.8743 High Similarity NPC183441
0.8742 High Similarity NPC474534
0.8742 High Similarity NPC474533
0.8742 High Similarity NPC215811
0.8742 High Similarity NPC473967
0.8735 High Similarity NPC473202
0.8735 High Similarity NPC191653
0.8734 High Similarity NPC473966
0.8727 High Similarity NPC178173
0.8721 High Similarity NPC241847
0.872 High Similarity NPC127415
0.8718 High Similarity NPC285122
0.8713 High Similarity NPC476203
0.8713 High Similarity NPC478001
0.8713 High Similarity NPC293227
0.8713 High Similarity NPC473631
0.8713 High Similarity NPC473717
0.8713 High Similarity NPC475662
0.8706 High Similarity NPC245059
0.8706 High Similarity NPC84494
0.8704 High Similarity NPC57072
0.8704 High Similarity NPC73511
0.8704 High Similarity NPC231475
0.869 High Similarity NPC154986
0.8683 High Similarity NPC52598
0.8679 High Similarity NPC39819
0.8675 High Similarity NPC103633
0.8675 High Similarity NPC298847
0.8662 High Similarity NPC71055
0.8659 High Similarity NPC44947
0.8659 High Similarity NPC131745
0.8659 High Similarity NPC259834
0.8659 High Similarity NPC473961
0.8659 High Similarity NPC22324
0.8655 High Similarity NPC164047
0.8655 High Similarity NPC470453
0.8655 High Similarity NPC470452
0.8655 High Similarity NPC470448
0.8654 High Similarity NPC170055
0.865 High Similarity NPC271479
0.8642 High Similarity NPC313163
0.8642 High Similarity NPC258035
0.8642 High Similarity NPC156457
0.8642 High Similarity NPC161749
0.8642 High Similarity NPC197896
0.8634 High Similarity NPC99233
0.8631 High Similarity NPC471922
0.8631 High Similarity NPC129930
0.8631 High Similarity NPC114550
0.8631 High Similarity NPC471920
0.8631 High Similarity NPC471921
0.8631 High Similarity NPC292712
0.8631 High Similarity NPC20114
0.8631 High Similarity NPC312006
0.8631 High Similarity NPC478002
0.8631 High Similarity NPC474075
0.8627 High Similarity NPC1268
0.8623 High Similarity NPC175477
0.8623 High Similarity NPC229687
0.8616 High Similarity NPC93619
0.8613 High Similarity NPC475220
0.8613 High Similarity NPC229817
0.8613 High Similarity NPC475352
0.8613 High Similarity NPC221140
0.8613 High Similarity NPC473686
0.8606 High Similarity NPC257566
0.8606 High Similarity NPC179198
0.8606 High Similarity NPC66087
0.8606 High Similarity NPC278419
0.8606 High Similarity NPC124155
0.8606 High Similarity NPC183672
0.8599 High Similarity NPC300540
0.8598 High Similarity NPC132737
0.8598 High Similarity NPC303913
0.8598 High Similarity NPC47923
0.859 High Similarity NPC84568
0.859 High Similarity NPC48130
0.859 High Similarity NPC300684
0.859 High Similarity NPC218866
0.8589 High Similarity NPC186113
0.8589 High Similarity NPC308265
0.8588 High Similarity NPC176246
0.858 High Similarity NPC170475
0.858 High Similarity NPC45165
0.858 High Similarity NPC206378
0.858 High Similarity NPC78492
0.858 High Similarity NPC208152
0.858 High Similarity NPC478223
0.858 High Similarity NPC261866
0.8571 High Similarity NPC150767
0.8571 High Similarity NPC44558
0.8571 High Similarity NPC135522
0.8571 High Similarity NPC260604
0.8571 High Similarity NPC76047
0.8571 High Similarity NPC105511
0.8571 High Similarity NPC106625
0.8571 High Similarity NPC78734
0.8571 High Similarity NPC299435
0.8563 High Similarity NPC477502

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC146837 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
0.9152 High Similarity NPD8313 Approved
0.9152 High Similarity NPD8312 Approved
0.8779 High Similarity NPD7879 Clinical (unspecified phase)
0.869 High Similarity NPD6559 Discontinued
0.8642 High Similarity NPD4381 Clinical (unspecified phase)
0.8553 High Similarity NPD3226 Approved
0.8436 Intermediate Similarity NPD6778 Approved
0.8436 Intermediate Similarity NPD6777 Approved
0.8436 Intermediate Similarity NPD6781 Approved
0.8436 Intermediate Similarity NPD6782 Approved
0.8436 Intermediate Similarity NPD6779 Approved
0.8436 Intermediate Similarity NPD6780 Approved
0.8436 Intermediate Similarity NPD6776 Approved
0.8402 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8353 Intermediate Similarity NPD7074 Phase 3
0.8343 Intermediate Similarity NPD3818 Discontinued
0.8323 Intermediate Similarity NPD2346 Discontinued
0.8297 Intermediate Similarity NPD7435 Discontinued
0.8294 Intermediate Similarity NPD7054 Approved
0.8272 Intermediate Similarity NPD4380 Phase 2
0.8263 Intermediate Similarity NPD6959 Discontinued
0.8246 Intermediate Similarity NPD7472 Approved
0.8242 Intermediate Similarity NPD6823 Phase 2
0.8239 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.8198 Intermediate Similarity NPD6797 Phase 2
0.8197 Intermediate Similarity NPD7696 Phase 3
0.8197 Intermediate Similarity NPD7698 Approved
0.8197 Intermediate Similarity NPD7697 Approved
0.8156 Intermediate Similarity NPD6535 Approved
0.8156 Intermediate Similarity NPD6534 Approved
0.8152 Intermediate Similarity NPD7870 Phase 2
0.8152 Intermediate Similarity NPD7871 Phase 2
0.815 Intermediate Similarity NPD7251 Discontinued
0.8121 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8121 Intermediate Similarity NPD7819 Suspended
0.8118 Intermediate Similarity NPD7701 Phase 2
0.8107 Intermediate Similarity NPD6232 Discontinued
0.8103 Intermediate Similarity NPD7808 Phase 3
0.8103 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8101 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.8101 Intermediate Similarity NPD6212 Phase 3
0.8101 Intermediate Similarity NPD6213 Phase 3
0.8098 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.8084 Intermediate Similarity NPD7075 Discontinued
0.8081 Intermediate Similarity NPD5844 Phase 1
0.8072 Intermediate Similarity NPD5402 Approved
0.807 Intermediate Similarity NPD7473 Discontinued
0.8032 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.8032 Intermediate Similarity NPD7874 Approved
0.8023 Intermediate Similarity NPD3751 Discontinued
0.8022 Intermediate Similarity NPD7699 Phase 2
0.8022 Intermediate Similarity NPD7700 Phase 2
0.8012 Intermediate Similarity NPD6166 Phase 2
0.8012 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8012 Intermediate Similarity NPD8455 Phase 2
0.8012 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7989 Intermediate Similarity NPD7801 Approved
0.7979 Intermediate Similarity NPD8151 Discontinued
0.7964 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7952 Intermediate Similarity NPD1934 Approved
0.7921 Intermediate Similarity NPD8150 Discontinued
0.7917 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7904 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7895 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7895 Intermediate Similarity NPD7783 Phase 2
0.7892 Intermediate Similarity NPD7411 Suspended
0.7866 Intermediate Similarity NPD5403 Approved
0.7861 Intermediate Similarity NPD8319 Approved
0.7861 Intermediate Similarity NPD8320 Phase 1
0.7844 Intermediate Similarity NPD6801 Discontinued
0.7826 Intermediate Similarity NPD4628 Phase 3
0.7816 Intermediate Similarity NPD7228 Approved
0.7791 Intermediate Similarity NPD3787 Discontinued
0.7778 Intermediate Similarity NPD5494 Approved
0.7771 Intermediate Similarity NPD7458 Discontinued
0.7764 Intermediate Similarity NPD6674 Discontinued
0.7744 Intermediate Similarity NPD5401 Approved
0.7744 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7744 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7738 Intermediate Similarity NPD37 Approved
0.7719 Intermediate Similarity NPD6234 Discontinued
0.7716 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7712 Intermediate Similarity NPD1470 Approved
0.7706 Intermediate Similarity NPD4966 Approved
0.7706 Intermediate Similarity NPD4967 Phase 2
0.7706 Intermediate Similarity NPD4965 Approved
0.7706 Intermediate Similarity NPD7768 Phase 2
0.7702 Intermediate Similarity NPD1549 Phase 2
0.7701 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD2801 Approved
0.7692 Intermediate Similarity NPD2313 Discontinued
0.7688 Intermediate Similarity NPD2935 Discontinued
0.7667 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7654 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.764 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.764 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7636 Intermediate Similarity NPD2533 Approved
0.7636 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7636 Intermediate Similarity NPD2534 Approved
0.7636 Intermediate Similarity NPD2532 Approved
0.7626 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7625 Intermediate Similarity NPD2799 Discontinued
0.7619 Intermediate Similarity NPD6599 Discontinued
0.7607 Intermediate Similarity NPD3750 Approved
0.7602 Intermediate Similarity NPD3882 Suspended
0.7584 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7578 Intermediate Similarity NPD1551 Phase 2
0.7558 Intermediate Similarity NPD3749 Approved
0.7548 Intermediate Similarity NPD2798 Approved
0.7544 Intermediate Similarity NPD3817 Phase 2
0.7542 Intermediate Similarity NPD7685 Pre-registration
0.7539 Intermediate Similarity NPD7211 Clinical (unspecified phase)
0.753 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7527 Intermediate Similarity NPD8434 Phase 2
0.7516 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD6273 Approved
0.7485 Intermediate Similarity NPD1465 Phase 2
0.747 Intermediate Similarity NPD6799 Approved
0.747 Intermediate Similarity NPD1511 Approved
0.7469 Intermediate Similarity NPD2796 Approved
0.7469 Intermediate Similarity NPD5405 Approved
0.7469 Intermediate Similarity NPD5408 Approved
0.7469 Intermediate Similarity NPD5406 Approved
0.7469 Intermediate Similarity NPD5404 Approved
0.7451 Intermediate Similarity NPD1201 Approved
0.7451 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7444 Intermediate Similarity NPD7240 Approved
0.7439 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7438 Intermediate Similarity NPD1933 Approved
0.7438 Intermediate Similarity NPD8059 Phase 3
0.7438 Intermediate Similarity NPD8058 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD7199 Phase 2
0.7427 Intermediate Similarity NPD6844 Discontinued
0.7423 Intermediate Similarity NPD7266 Discontinued
0.7416 Intermediate Similarity NPD7177 Discontinued
0.7409 Intermediate Similarity NPD7584 Approved
0.7407 Intermediate Similarity NPD8285 Discontinued
0.7407 Intermediate Similarity NPD1510 Phase 2
0.7394 Intermediate Similarity NPD7003 Approved
0.7394 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD1607 Approved
0.7381 Intermediate Similarity NPD1512 Approved
0.7365 Intermediate Similarity NPD7390 Discontinued
0.7342 Intermediate Similarity NPD6832 Phase 2
0.7338 Intermediate Similarity NPD1091 Approved
0.7329 Intermediate Similarity NPD447 Suspended
0.7317 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD2344 Approved
0.7301 Intermediate Similarity NPD3748 Approved
0.7296 Intermediate Similarity NPD4625 Phase 3
0.7296 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7294 Intermediate Similarity NPD1653 Approved
0.7273 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD1240 Approved
0.7267 Intermediate Similarity NPD4060 Phase 1
0.7262 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7261 Intermediate Similarity NPD1203 Approved
0.7256 Intermediate Similarity NPD6099 Approved
0.7256 Intermediate Similarity NPD6100 Approved
0.725 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7247 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7239 Intermediate Similarity NPD7097 Phase 1
0.7235 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD8127 Discontinued
0.7222 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7198 Intermediate Similarity NPD5953 Discontinued
0.7195 Intermediate Similarity NPD4308 Phase 3
0.7195 Intermediate Similarity NPD7033 Discontinued
0.7191 Intermediate Similarity NPD5710 Approved
0.7191 Intermediate Similarity NPD5711 Approved
0.7152 Intermediate Similarity NPD2438 Suspended
0.7151 Intermediate Similarity NPD2651 Approved
0.7151 Intermediate Similarity NPD2649 Approved
0.715 Intermediate Similarity NPD7930 Approved
0.7143 Intermediate Similarity NPD3764 Approved
0.7143 Intermediate Similarity NPD2309 Approved
0.7143 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD411 Approved
0.7143 Intermediate Similarity NPD6798 Discontinued
0.7126 Intermediate Similarity NPD2800 Approved
0.712 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7118 Intermediate Similarity NPD4661 Approved
0.7118 Intermediate Similarity NPD4662 Approved
0.7108 Intermediate Similarity NPD1471 Phase 3
0.7108 Intermediate Similarity NPD5762 Approved
0.7108 Intermediate Similarity NPD5763 Approved
0.7098 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD5126 Approved
0.7097 Intermediate Similarity NPD5125 Phase 3
0.7086 Intermediate Similarity NPD5760 Phase 2
0.7086 Intermediate Similarity NPD5761 Phase 2
0.707 Intermediate Similarity NPD9717 Approved
0.7066 Intermediate Similarity NPD2424 Discontinued
0.7056 Intermediate Similarity NPD3926 Phase 2
0.7055 Intermediate Similarity NPD1613 Approved
0.7055 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7047 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7044 Intermediate Similarity NPD2797 Approved
0.7041 Intermediate Similarity NPD6190 Approved
0.7037 Intermediate Similarity NPD7985 Registered

Structure

External Identifiers

PubChem CID   6324923
ChEMBL   CHEMBL112709
ZINC  

Physicochemical Properties

Molecular Weight:  416.11
ALogP:  -2.5531
MLogP:  2.78
XLogP:  0.519
# Rotatable Bonds:  9
Polar Surface Area:  153.75
# H-Bond Aceptor:  7
# H-Bond Donor:  5
# Rings:  4
# Heavy Atoms:  30

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