Natural Product: NPC92815

Natural Product ID:  NPC92815
Common Name:   Kaempferol-3-O-(3'',4\"-Diacetyl-2\",6\"-Di-E-P-Coumaroyl)-Glucoside
IUPAC Name:   [(2R,3R,4S,5R,6S)-3,4-diacetyloxy-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Synonyms:  
Molecular Formula:   C43H36O17
Standard InCHIKey:  IFLHDGGEJKVLAF-FEMPFSAESA-N
Standard InCHI:  InChI=1S/C43H36O17/c1-22(44)55-39-33(21-54-34(51)17-7-24-3-11-27(46)12-4-24)58-43(42(41(39)56-23(2)45)59-35(52)18-8-25-5-13-28(47)14-6-25)60-40-37(53)36-31(50)19-30(49)20-32(36)57-38(40)26-9-15-29(48)16-10-26/h3-20,33,39,41-43,46-50H,21H2,1-2H3/b17-7+,18-8+/t33-,39-,41+,42-,43+/m1/s1
Canonical SMILES:  O=C(OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)/C=C/c1ccc(cc1)O)/C=C/c1ccc(cc1)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
NPO7347 Viguiera oblongifolia Species Asteraceae Eukaryota UNPD*
NPO18463 Plectocephalus chilensis Species Asteraceae Eukaryota UNPD*
NPO1038 Phoenix loureiroi Species Arecaceae Eukaryota UNPD*
NPO291 Suillus bovinus Species Suillaceae Eukaryota UNPD*
NPO12317 Naja kaouthia Species Elapidae Eukaryota UNPD*
NPO4293 Allium neapolitanum Species Amaryllidaceae Eukaryota UNPD*
NPO1897 Ephedra aphylla Species Ephedraceae Eukaryota UNPD*
NPO13002 Petasites georgicus Species Asteraceae Eukaryota UNPD*
NPO963 Litsea pungens Species Lauraceae Eukaryota UNPD*
NPO2609 Neonectria candida Species Nectriaceae Eukaryota UNPD*
NPO19333 Byssothecium obiones Species Massarinaceae Eukaryota UNPD*
NPO12081 Streptomyces xanthochromogenes Species Streptomycetaceae Bacteria UNPD*
NPO27848 Conoideocrella luteorostrata Species Clavicipitaceae Eukaryota UNPD*
NPO658 Leucopaxillus gentianeus Species Tricholomataceae Eukaryota UNPD*
NPO11558 Atylosia trinervia Species Fabaceae Eukaryota UNPD*
NPO3124 Gloiopeltis furcata Species Endocladiaceae Eukaryota UNPD*
NPO6850 Typha domingensis Species Typhaceae Eukaryota UNPD*
NPO25775 Dasystenella acanthina Species Primnoidae Eukaryota UNPD*
NPO7622 Monanchora pulchra Species Crambeidae Eukaryota UNPD*
NPO28092 Xyris pterygoblephara Species Xyridaceae Eukaryota UNPD*
NPO11949 Iris ensata Species Iridaceae Eukaryota UNPD*
NPO20523 Bacillus subtilis Species Bacillaceae Bacteria UNPD*
NPO6259 Keiferia lycopersicella Species Gelechiidae Eukaryota UNPD*
NPO12893 Dermolepida albohirtum Species Scarabaeidae Eukaryota UNPD*
NPO2968 Anthopleura xanthogrammica Species Actiniidae Eukaryota UNPD*
NPO12677 Penicillium kapuscinskii Species Aspergillaceae Eukaryota UNPD*
NPO7050 Picea mariana Species Pinaceae Eukaryota UNPD*
NPO9518 Gardenia jasminoides Species Rubiaceae Eukaryota UNPD*
NPO3756 Munronia delavayi Species Meliaceae Eukaryota UNPD*
NPO4240 Elephantopus mollis Species Asteraceae Eukaryota UNPD*
NPO10870 Trichilia hirta Species Meliaceae Eukaryota UNPD*
NPO19984 Turpinia ternata Species Staphyleaceae Eukaryota UNPD*
NPO10613 Thalictrum longistylum Species Ranunculaceae Eukaryota UNPD*
NPO9930 Dendrodoris tuberculosa Species Dendrodorididae Eukaryota UNPD*
NPO5723 Quercus robur Species Fagaceae Eukaryota UNPD*
NPO21679 Nuphar lutea Species Nymphaeaceae Eukaryota UNPD*
NPO4816 Cycas armstrongii Species Cycadaceae Eukaryota UNPD*
NPO3419 Quercus suber Species Fagaceae Eukaryota UNPD*
NPO17226 Burkholderia pyrrocinia Species Burkholderiaceae Bacteria UNPD*
NPO11709 Salvia parryi Species Lamiaceae Eukaryota UNPD*
NPO8808 Artemisia schimperi Species Asteraceae Eukaryota UNPD*
NPO8777 Euryops algoensis Species Asteraceae Eukaryota UNPD*
NPO5082 Cycas revoluta Species Cycadaceae Eukaryota UNPD*
NPO4544 Gomortega keule Species Gomortegaceae Eukaryota UNPD*
NPO8492 Viburnum urceolatum Species Adoxaceae Eukaryota UNPD*
NPO6302 Licaria armeniaca Species Lauraceae Eukaryota UNPD*
NPO115 Eutreptia viridis Species NA Eukaryota UNPD*
NPO6130 Mammillaria magnimamma Species Cactaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens Ki > 10000 nM 26498393
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens Ki = 6863.3 nM 26498393
NPT1062 Individual Protein Carbonic anhydrase IV Homo sapiens Ki = 62.2 nM 26498393
NPT955 Individual Protein Carbonic anhydrase VII Homo sapiens Ki = 26.6 nM 26498393
NPT949 Individual Protein Carbonic anhydrase XII Homo sapiens Ki = 399.7 nM 26498393
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 600 nM 26722868
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 2100 nM 26722868
NPT2 Others Unspecified Ratio IC50 = 3.5 26722868
NPT165 Cell Line HeLa Homo sapiens IC50 < 3000 nM 26722868
NPT2 Others Unspecified Ratio IC50 < 5 26722868
NPT2 Others Unspecified Ratio IC50 < 1.4 26722868

  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 NPC92815 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
0.9814 High Similarity NPC101399
0.9814 High Similarity NPC221288
0.9814 High Similarity NPC11847
0.9814 High Similarity NPC217822
0.9755 High Similarity NPC231787
0.9752 High Similarity NPC218161
0.9752 High Similarity NPC469344
0.9752 High Similarity NPC280642
0.9752 High Similarity NPC96605
0.9752 High Similarity NPC188815
0.9691 High Similarity NPC474522
0.963 High Similarity NPC470712
0.963 High Similarity NPC164704
0.9571 High Similarity NPC470715
0.9571 High Similarity NPC470716
0.9571 High Similarity NPC470714
0.9565 High Similarity NPC473278
0.9565 High Similarity NPC260504
0.9565 High Similarity NPC89809
0.9503 High Similarity NPC205824
0.9503 High Similarity NPC139060
0.9503 High Similarity NPC85751
0.9503 High Similarity NPC129264
0.9503 High Similarity NPC19240
0.9444 High Similarity NPC64425
0.9441 High Similarity NPC80068
0.9434 High Similarity NPC104677
0.9408 High Similarity NPC474093
0.9408 High Similarity NPC104910
0.939 High Similarity NPC175429
0.939 High Similarity NPC138990
0.939 High Similarity NPC277532
0.939 High Similarity NPC209550
0.9353 High Similarity NPC475179
0.9353 High Similarity NPC97817
0.9353 High Similarity NPC30011
0.9353 High Similarity NPC72554
0.9349 High Similarity NPC75574
0.9325 High Similarity NPC256188
0.9325 High Similarity NPC12013
0.9325 High Similarity NPC11432
0.9325 High Similarity NPC32641
0.9325 High Similarity NPC203145
0.9325 High Similarity NPC189564
0.9325 High Similarity NPC221342
0.9325 High Similarity NPC186816
0.9325 High Similarity NPC142142
0.9325 High Similarity NPC477613
0.9325 High Similarity NPC476470
0.9317 High Similarity NPC48093
0.9317 High Similarity NPC270675
0.9317 High Similarity NPC85707
0.9317 High Similarity NPC477628
0.9317 High Similarity NPC129217
0.9317 High Similarity NPC159579
0.9317 High Similarity NPC224530
0.9317 High Similarity NPC259957
0.9317 High Similarity NPC472994
0.9317 High Similarity NPC210961
0.9317 High Similarity NPC216496
0.9317 High Similarity NPC195685
0.9317 High Similarity NPC477629
0.9317 High Similarity NPC470125
0.929 High Similarity NPC297503
0.929 High Similarity NPC162394
0.929 High Similarity NPC156785
0.929 High Similarity NPC97119
0.929 High Similarity NPC241781
0.929 High Similarity NPC135831
0.9273 High Similarity NPC76047
0.9264 High Similarity NPC289667
0.9264 High Similarity NPC292929
0.9264 High Similarity NPC287889
0.9264 High Similarity NPC76831
0.9264 High Similarity NPC135358
0.9259 High Similarity NPC27942
0.9259 High Similarity NPC240306
0.9259 High Similarity NPC298171
0.9255 High Similarity NPC321478
0.925 High Similarity NPC117478
0.9235 High Similarity NPC460984
0.9235 High Similarity NPC223860
0.9235 High Similarity NPC25946
0.9235 High Similarity NPC470717
0.9235 High Similarity NPC470720
0.9235 High Similarity NPC21359
0.9235 High Similarity NPC249560
0.9235 High Similarity NPC470713
0.9235 High Similarity NPC275977
0.9226 High Similarity NPC477895
0.9207 High Similarity NPC298666
0.9207 High Similarity NPC262222
0.9207 High Similarity NPC68592
0.9202 High Similarity NPC121703
0.9198 High Similarity NPC139320
0.9198 High Similarity NPC265885
0.9198 High Similarity NPC282169
0.9198 High Similarity NPC170052
0.9198 High Similarity NPC173582
0.9198 High Similarity NPC473516
0.9198 High Similarity NPC297987
0.9198 High Similarity NPC116458
0.9198 High Similarity NPC476215
0.9198 High Similarity NPC276377
0.9198 High Similarity NPC215710
0.9198 High Similarity NPC473438
0.9198 High Similarity NPC181465
0.9198 High Similarity NPC135846
0.9198 High Similarity NPC253788
0.9198 High Similarity NPC64305
0.9198 High Similarity NPC249281
0.9198 High Similarity NPC101636
0.9198 High Similarity NPC246943
0.9198 High Similarity NPC163242
0.9193 High Similarity NPC320283
0.9193 High Similarity NPC41121
0.9193 High Similarity NPC111929
0.9193 High Similarity NPC472459
0.9181 High Similarity NPC470719
0.9181 High Similarity NPC33083
0.9181 High Similarity NPC295625
0.9181 High Similarity NPC473554
0.9176 High Similarity NPC470718
0.9172 High Similarity NPC471030
0.9167 High Similarity NPC473862
0.9146 High Similarity NPC72016
0.9141 High Similarity NPC244875
0.9141 High Similarity NPC475382
0.9141 High Similarity NPC472876
0.9136 High Similarity NPC136761
0.9136 High Similarity NPC470405
0.9136 High Similarity NPC304741
0.9136 High Similarity NPC187379
0.9136 High Similarity NPC471079
0.913 High Similarity NPC197304
0.913 High Similarity NPC182634
0.913 High Similarity NPC133671
0.913 High Similarity NPC78263
0.913 High Similarity NPC54802
0.913 High Similarity NPC135391
0.913 High Similarity NPC108831
0.913 High Similarity NPC77672
0.9112 High Similarity NPC293626
0.9112 High Similarity NPC139571
0.9112 High Similarity NPC196127
0.9112 High Similarity NPC37668
0.9112 High Similarity NPC217387
0.9112 High Similarity NPC217520
0.9112 High Similarity NPC253521
0.9112 High Similarity NPC258044
0.9112 High Similarity NPC113836
0.9112 High Similarity NPC35167
0.9112 High Similarity NPC267680
0.9107 High Similarity NPC214621
0.9107 High Similarity NPC34267
0.9107 High Similarity NPC223426
0.9107 High Similarity NPC81042
0.9096 High Similarity NPC5319
0.9085 High Similarity NPC311850
0.9085 High Similarity NPC473644
0.9074 High Similarity NPC473634
0.9074 High Similarity NPC22062
0.9074 High Similarity NPC138811
0.9068 High Similarity NPC203500
0.9068 High Similarity NPC323593
0.9068 High Similarity NPC307938
0.9053 High Similarity NPC144097
0.9053 High Similarity NPC471669
0.9053 High Similarity NPC61904
0.9053 High Similarity NPC89127
0.9024 High Similarity NPC150164
0.9018 High Similarity NPC473623
0.9018 High Similarity NPC153342
0.9017 High Similarity NPC64755
0.9012 High Similarity NPC44931
0.9012 High Similarity NPC473512
0.9012 High Similarity NPC43638
0.9012 High Similarity NPC470416
0.9012 High Similarity NPC129827
0.9012 High Similarity NPC65003
0.9006 High Similarity NPC95090
0.9006 High Similarity NPC27408
0.9 High Similarity NPC173837
0.897 High Similarity NPC278419
0.897 High Similarity NPC66087
0.897 High Similarity NPC179198
0.8963 High Similarity NPC303913
0.8957 High Similarity NPC73511
0.8957 High Similarity NPC43761
0.8953 High Similarity NPC36138
0.8953 High Similarity NPC35924
0.8953 High Similarity NPC199172
0.8951 High Similarity NPC295613
0.8951 High Similarity NPC473657
0.8951 High Similarity NPC127406
0.8947 High Similarity NPC179862
0.8944 High Similarity NPC143851
0.8944 High Similarity NPC210003
0.8944 High Similarity NPC29763
0.8944 High Similarity NPC39360

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC92815 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
0.9096 High Similarity NPD7804 Clinical (unspecified phase)
0.8994 High Similarity NPD7808 Phase 3
0.8935 High Similarity NPD7251 Discontinued
0.8896 High Similarity NPD4381 Clinical (unspecified phase)
0.8876 High Similarity NPD6797 Phase 2
0.878 High Similarity NPD7075 Discontinued
0.8706 High Similarity NPD7472 Approved
0.8663 High Similarity NPD4338 Clinical (unspecified phase)
0.8647 High Similarity NPD7054 Approved
0.8598 High Similarity NPD7096 Clinical (unspecified phase)
0.8537 High Similarity NPD6801 Discontinued
0.85 High Similarity NPD6799 Approved
0.8488 Intermediate Similarity NPD7074 Phase 3
0.8476 Intermediate Similarity NPD7411 Suspended
0.8471 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.8457 Intermediate Similarity NPD5403 Approved
0.8439 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.838 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.8363 Intermediate Similarity NPD6166 Phase 2
0.8363 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8363 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8333 Intermediate Similarity NPD5401 Approved
0.8323 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8323 Intermediate Similarity NPD3817 Phase 2
0.8303 Intermediate Similarity NPD4380 Phase 2
0.8295 Intermediate Similarity NPD8312 Approved
0.8295 Intermediate Similarity NPD8313 Approved
0.8274 Intermediate Similarity NPD7768 Phase 2
0.8266 Intermediate Similarity NPD3818 Discontinued
0.8221 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8221 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8214 Intermediate Similarity NPD5402 Approved
0.8193 Intermediate Similarity NPD6599 Discontinued
0.8187 Intermediate Similarity NPD1549 Phase 2
0.8182 Intermediate Similarity NPD6559 Discontinued
0.8166 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8155 Intermediate Similarity NPD8455 Phase 2
0.8155 Intermediate Similarity NPD7819 Suspended
0.8125 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8125 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8081 Intermediate Similarity NPD6959 Discontinued
0.8 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7988 Intermediate Similarity NPD1934 Approved
0.7953 Intermediate Similarity NPD3882 Suspended
0.795 Intermediate Similarity NPD2796 Approved
0.7941 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7907 Intermediate Similarity NPD3749 Approved
0.7888 Intermediate Similarity NPD1510 Phase 2
0.7844 Intermediate Similarity NPD1512 Approved
0.7842 Intermediate Similarity NPD7435 Discontinued
0.7836 Intermediate Similarity NPD2801 Approved
0.7824 Intermediate Similarity NPD8151 Discontinued
0.7805 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7772 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7758 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7758 Intermediate Similarity NPD3750 Approved
0.7753 Intermediate Similarity NPD3751 Discontinued
0.775 Intermediate Similarity NPD1240 Approved
0.774 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7736 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7727 Intermediate Similarity NPD3787 Discontinued
0.7725 Intermediate Similarity NPD1511 Approved
0.7709 Intermediate Similarity NPD5844 Phase 1
0.7708 Intermediate Similarity NPD7870 Phase 2
0.7708 Intermediate Similarity NPD7871 Phase 2
0.7706 Intermediate Similarity NPD7458 Discontinued
0.7697 Intermediate Similarity NPD7473 Discontinued
0.7692 Intermediate Similarity NPD7874 Approved
0.7692 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7656 Intermediate Similarity NPD7696 Phase 3
0.7656 Intermediate Similarity NPD7698 Approved
0.7656 Intermediate Similarity NPD7697 Approved
0.7654 Intermediate Similarity NPD1607 Approved
0.7627 Intermediate Similarity NPD6232 Discontinued
0.7622 Intermediate Similarity NPD1551 Phase 2
0.7592 Intermediate Similarity NPD6781 Approved
0.7592 Intermediate Similarity NPD6776 Approved
0.7592 Intermediate Similarity NPD6777 Approved
0.7592 Intermediate Similarity NPD6778 Approved
0.7592 Intermediate Similarity NPD6779 Approved
0.7592 Intermediate Similarity NPD6782 Approved
0.7592 Intermediate Similarity NPD6780 Approved
0.7584 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7538 Intermediate Similarity NPD7584 Approved
0.753 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7526 Intermediate Similarity NPD8320 Phase 1
0.7526 Intermediate Similarity NPD8319 Approved
0.7516 Intermediate Similarity NPD6798 Discontinued
0.7514 Intermediate Similarity NPD5494 Approved
0.7514 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7701 Phase 2
0.75 Intermediate Similarity NPD6832 Phase 2
0.7486 Intermediate Similarity NPD7685 Pre-registration
0.7485 Intermediate Similarity NPD1933 Approved
0.7475 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7475 Intermediate Similarity NPD7783 Phase 2
0.7469 Intermediate Similarity NPD6233 Phase 2
0.7458 Intermediate Similarity NPD919 Approved
0.7455 Intermediate Similarity NPD3748 Approved
0.7442 Intermediate Similarity NPD1653 Approved
0.744 Intermediate Similarity NPD4628 Phase 3
0.7418 Intermediate Similarity NPD7286 Phase 2
0.7402 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7396 Intermediate Similarity NPD7700 Phase 2
0.7396 Intermediate Similarity NPD7699 Phase 2
0.7387 Intermediate Similarity NPD7801 Approved
0.7384 Intermediate Similarity NPD920 Approved
0.7374 Intermediate Similarity NPD7199 Phase 2
0.7363 Intermediate Similarity NPD7228 Approved
0.7337 Intermediate Similarity NPD5953 Discontinued
0.733 Intermediate Similarity NPD6534 Approved
0.733 Intermediate Similarity NPD1465 Phase 2
0.733 Intermediate Similarity NPD6535 Approved
0.7323 Intermediate Similarity NPD7585 Approved
0.7312 Intermediate Similarity NPD1203 Approved
0.731 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7305 Intermediate Similarity NPD2935 Discontinued
0.7289 Intermediate Similarity NPD7097 Phase 1
0.7287 Intermediate Similarity NPD8150 Discontinued
0.7287 Intermediate Similarity NPD8434 Phase 2
0.7278 Intermediate Similarity NPD1243 Approved
0.7273 Intermediate Similarity NPD7583 Approved
0.7267 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7251 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD7033 Discontinued
0.7245 Intermediate Similarity NPD6823 Phase 2
0.7209 Intermediate Similarity NPD7390 Discontinued
0.72 Intermediate Similarity NPD3226 Approved
0.7198 Intermediate Similarity NPD3926 Phase 2
0.7195 Intermediate Similarity NPD2313 Discontinued
0.7193 Intermediate Similarity NPD6190 Approved
0.7182 Intermediate Similarity NPD1247 Approved
0.7178 Intermediate Similarity NPD4908 Phase 1
0.7175 Intermediate Similarity NPD37 Approved
0.7169 Intermediate Similarity NPD6355 Discontinued
0.7168 Intermediate Similarity NPD2532 Approved
0.7168 Intermediate Similarity NPD2534 Approved
0.7168 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7168 Intermediate Similarity NPD2533 Approved
0.7167 Intermediate Similarity NPD6234 Discontinued
0.716 Intermediate Similarity NPD7266 Discontinued
0.7151 Intermediate Similarity NPD4965 Approved
0.7151 Intermediate Similarity NPD4966 Approved
0.7151 Intermediate Similarity NPD4967 Phase 2
0.7143 Intermediate Similarity NPD2799 Discontinued
0.7126 Intermediate Similarity NPD6651 Approved
0.7125 Intermediate Similarity NPD9717 Approved
0.7119 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7112 Intermediate Similarity NPD7240 Approved
0.7093 Intermediate Similarity NPD3887 Approved
0.7091 Intermediate Similarity NPD3268 Approved
0.7091 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7076 Intermediate Similarity NPD1652 Phase 2
0.7076 Intermediate Similarity NPD2800 Approved
0.7066 Intermediate Similarity NPD5124 Phase 1
0.7066 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD422 Phase 1
0.7063 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD2344 Approved
0.7055 Intermediate Similarity NPD2798 Approved
0.7037 Intermediate Similarity NPD3225 Approved
0.7035 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7031 Intermediate Similarity NPD4287 Approved
0.7006 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.6994 Remote Similarity NPD2354 Approved
0.6994 Remote Similarity NPD2797 Approved
0.6984 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6974 Remote Similarity NPD4363 Phase 3
0.6974 Remote Similarity NPD4360 Phase 2
0.6965 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6964 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6964 Remote Similarity NPD230 Phase 1
0.6964 Remote Similarity NPD447 Suspended
0.6959 Remote Similarity NPD2346 Discontinued
0.6957 Remote Similarity NPD1091 Approved
0.6954 Remote Similarity NPD7440 Discontinued
0.6946 Remote Similarity NPD4062 Phase 3
0.6941 Remote Similarity NPD4308 Phase 3
0.6936 Remote Similarity NPD7003 Approved
0.6923 Remote Similarity NPD6213 Phase 3
0.6923 Remote Similarity NPD6212 Phase 3
0.6923 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6918 Remote Similarity NPD9545 Approved
0.6918 Remote Similarity NPD1548 Phase 1
0.691 Remote Similarity NPD8158 Clinical (unspecified phase)
0.6906 Remote Similarity NPD4288 Approved
0.6901 Remote Similarity NPD5404 Approved
0.6901 Remote Similarity NPD5405 Approved
0.6901 Remote Similarity NPD5406 Approved
0.6901 Remote Similarity NPD6100 Approved
0.6901 Remote Similarity NPD5408 Approved
0.6901 Remote Similarity NPD6099 Approved
0.6898 Remote Similarity NPD7799 Discontinued
0.6897 Remote Similarity NPD2309 Approved
0.6889 Remote Similarity NPD6844 Discontinued
0.6865 Remote Similarity NPD7229 Phase 3
0.6864 Remote Similarity NPD4340 Discontinued
0.686 Remote Similarity NPD2355 Clinical (unspecified phase)
0.686 Remote Similarity NPD2353 Approved

Structure

External Identifiers

PubChem CID   10328097
ChEMBL   CHEMBL3628130
ZINC  

Physicochemical Properties

Molecular Weight:  824.20
ALogP:  -3.1336
MLogP:  4.32
XLogP:  5.785
# Rotatable Bonds:  23
Polar Surface Area:  251.11
# H-Bond Aceptor:  11
# H-Bond Donor:  5
# Rings:  6
# Heavy Atoms:  60

Download Data

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