Natural Product: NPC218161

Natural Product ID:  NPC218161
Common Name:   Kaempferol-3-O-(2'',6''-Di-E-P-Coumaroyl)-Beta-Glucopyranoside
IUPAC Name:   [(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Synonyms:  
Molecular Formula:   C39H32O15
Standard InCHIKey:  YXXQUJGFZPLXJV-AIBWQOBZSA-N
Standard InCHI:  InChI=1S/C39H32O15/c40-23-9-1-20(2-10-23)5-15-30(45)50-19-29-33(47)35(49)38(53-31(46)16-6-21-3-11-24(41)12-4-21)39(52-29)54-37-34(48)32-27(44)17-26(43)18-28(32)51-36(37)22-7-13-25(42)14-8-22/h1-18,29,33,35,38-44,47,49H,19H2/b15-5+,16-6+/t29-,33-,35+,38-,39+/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]1O)O)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
NPO291 Suillus bovinus Species Suillaceae Eukaryota UNPD*
NPO1897 Ephedra aphylla Species Ephedraceae Eukaryota UNPD*
NPO658 Leucopaxillus gentianeus Species Tricholomataceae Eukaryota UNPD*
NPO8808 Artemisia schimperi Species Asteraceae Eukaryota UNPD*
NPO12677 Penicillium kapuscinskii Species Aspergillaceae Eukaryota UNPD*
NPO4240 Elephantopus mollis Species Asteraceae Eukaryota UNPD*
NPO963 Litsea pungens Species Lauraceae Eukaryota UNPD*
NPO11709 Salvia parryi Species Lamiaceae Eukaryota UNPD*
NPO13002 Petasites georgicus Species Asteraceae Eukaryota UNPD*
NPO25775 Dasystenella acanthina Species Primnoidae Eukaryota UNPD*
NPO2968 Anthopleura xanthogrammica Species Actiniidae Eukaryota UNPD*
NPO27848 Conoideocrella luteorostrata Species Clavicipitaceae Eukaryota UNPD*
NPO10870 Trichilia hirta Species Meliaceae Eukaryota UNPD*
NPO9518 Gardenia jasminoides Species Rubiaceae Eukaryota UNPD*
NPO3419 Quercus suber Species Fagaceae Eukaryota UNPD*
NPO5723 Quercus robur Species Fagaceae Eukaryota UNPD*
NPO6850 Typha domingensis Species Typhaceae Eukaryota UNPD*
NPO4816 Cycas armstrongii Species Cycadaceae Eukaryota UNPD*
NPO4544 Gomortega keule Species Gomortegaceae Eukaryota UNPD*
NPO11949 Iris ensata Species Iridaceae Eukaryota UNPD*
NPO9930 Dendrodoris tuberculosa Species Dendrodorididae Eukaryota UNPD*
NPO19984 Turpinia ternata Species Staphyleaceae Eukaryota UNPD*
NPO3124 Gloiopeltis furcata Species Endocladiaceae Eukaryota UNPD*
NPO7347 Viguiera oblongifolia Species Asteraceae Eukaryota UNPD*
NPO12317 Naja kaouthia Species Elapidae Eukaryota UNPD*
NPO7050 Picea mariana Species Pinaceae Eukaryota UNPD*
NPO20523 Bacillus subtilis Species Bacillaceae Bacteria UNPD*
NPO1038 Phoenix loureiroi Species Arecaceae Eukaryota UNPD*
NPO6302 Licaria armeniaca Species Lauraceae Eukaryota UNPD*
NPO3756 Munronia delavayi Species Meliaceae Eukaryota UNPD*
NPO2609 Neonectria candida Species Nectriaceae Eukaryota UNPD*
NPO21679 Nuphar lutea Species Nymphaeaceae Eukaryota UNPD*
NPO10613 Thalictrum longistylum Species Ranunculaceae Eukaryota UNPD*
NPO7622 Monanchora pulchra Species Crambeidae Eukaryota UNPD*
NPO5082 Cycas revoluta Species Cycadaceae Eukaryota UNPD*
NPO12081 Streptomyces xanthochromogenes Species Streptomycetaceae Bacteria UNPD*
NPO28092 Xyris pterygoblephara Species Xyridaceae Eukaryota UNPD*
NPO115 Eutreptia viridis Species NA Eukaryota UNPD*
NPO6130 Mammillaria magnimamma Species Cactaceae Eukaryota UNPD*
NPO11558 Atylosia trinervia Species Fabaceae Eukaryota UNPD*
NPO19333 Byssothecium obiones Species Massarinaceae Eukaryota UNPD*
NPO17226 Burkholderia pyrrocinia Species Burkholderiaceae Bacteria UNPD*
NPO6259 Keiferia lycopersicella Species Gelechiidae Eukaryota UNPD*
NPO18463 Plectocephalus chilensis Species Asteraceae Eukaryota UNPD*
NPO8492 Viburnum urceolatum Species Adoxaceae Eukaryota UNPD*
NPO4293 Allium neapolitanum Species Amaryllidaceae Eukaryota UNPD*
NPO8777 Euryops algoensis Species Asteraceae Eukaryota UNPD*
NPO12893 Dermolepida albohirtum Species Scarabaeidae 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 = 8790.2 nM 26498393
NPT1062 Individual Protein Carbonic anhydrase IV Homo sapiens Ki = 344.2 nM 26498393
NPT955 Individual Protein Carbonic anhydrase VII Homo sapiens Ki = 4.7 nM 26498393
NPT949 Individual Protein Carbonic anhydrase XII Homo sapiens Ki = 408.9 nM 26498393

  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 NPC218161 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 NPC280642
1.0 High Similarity NPC96605
0.9938 High Similarity NPC11847
0.9938 High Similarity NPC101399
0.9938 High Similarity NPC217822
0.9938 High Similarity NPC221288
0.9875 High Similarity NPC469344
0.9875 High Similarity NPC188815
0.9811 High Similarity NPC473278
0.9811 High Similarity NPC89809
0.9811 High Similarity NPC260504
0.9755 High Similarity NPC231787
0.9752 High Similarity NPC92815
0.9752 High Similarity NPC164704
0.9752 High Similarity NPC470712
0.9748 High Similarity NPC129264
0.9748 High Similarity NPC85751
0.9748 High Similarity NPC19240
0.9748 High Similarity NPC205824
0.9691 High Similarity NPC474522
0.9691 High Similarity NPC470715
0.9691 High Similarity NPC470716
0.9691 High Similarity NPC470714
0.9686 High Similarity NPC80068
0.9625 High Similarity NPC139060
0.956 High Similarity NPC477628
0.956 High Similarity NPC270675
0.956 High Similarity NPC477629
0.956 High Similarity NPC470125
0.956 High Similarity NPC472994
0.956 High Similarity NPC195685
0.956 High Similarity NPC210961
0.9444 High Similarity NPC64425
0.9437 High Similarity NPC216496
0.9437 High Similarity NPC85707
0.9437 High Similarity NPC159579
0.9437 High Similarity NPC282169
0.9437 High Similarity NPC259957
0.9437 High Similarity NPC224530
0.9437 High Similarity NPC48093
0.9437 High Similarity NPC129217
0.9408 High Similarity NPC474093
0.9408 High Similarity NPC104910
0.9405 High Similarity NPC135831
0.9405 High Similarity NPC297503
0.9405 High Similarity NPC97119
0.939 High Similarity NPC138990
0.939 High Similarity NPC76047
0.939 High Similarity NPC175429
0.939 High Similarity NPC209550
0.939 High Similarity NPC277532
0.9383 High Similarity NPC289667
0.9383 High Similarity NPC292929
0.9383 High Similarity NPC76831
0.9379 High Similarity NPC240306
0.9379 High Similarity NPC27942
0.9379 High Similarity NPC472876
0.9375 High Similarity NPC470405
0.9375 High Similarity NPC471079
0.9375 High Similarity NPC304741
0.9371 High Similarity NPC135391
0.9371 High Similarity NPC197304
0.9371 High Similarity NPC77672
0.9371 High Similarity NPC78263
0.9371 High Similarity NPC54802
0.9371 High Similarity NPC133671
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
0.9341 High Similarity NPC477895
0.9337 High Similarity NPC214621
0.9337 High Similarity NPC223426
0.9337 High Similarity NPC81042
0.9337 High Similarity NPC34267
0.9325 High Similarity NPC256188
0.9325 High Similarity NPC12013
0.9325 High Similarity NPC11432
0.9325 High Similarity NPC189564
0.9325 High Similarity NPC32641
0.9325 High Similarity NPC203145
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
0.9321 High Similarity NPC121703
0.9317 High Similarity NPC135846
0.9317 High Similarity NPC170052
0.9317 High Similarity NPC249281
0.9317 High Similarity NPC101636
0.9317 High Similarity NPC246943
0.9317 High Similarity NPC476215
0.9317 High Similarity NPC473438
0.9317 High Similarity NPC297987
0.9317 High Similarity NPC139320
0.9317 High Similarity NPC181465
0.9317 High Similarity NPC265885
0.9317 High Similarity NPC253788
0.9317 High Similarity NPC215710
0.9317 High Similarity NPC163242
0.9317 High Similarity NPC64305
0.9317 High Similarity NPC116458
0.9317 High Similarity NPC276377
0.9317 High Similarity NPC173582
0.9313 High Similarity NPC104677
0.9313 High Similarity NPC320283
0.9313 High Similarity NPC472459
0.9313 High Similarity NPC41121
0.9313 High Similarity NPC111929
0.9308 High Similarity NPC323593
0.9308 High Similarity NPC203500
0.9308 High Similarity NPC307938
0.929 High Similarity NPC162394
0.929 High Similarity NPC156785
0.929 High Similarity NPC470718
0.929 High Similarity NPC241781
0.9286 High Similarity NPC471030
0.9281 High Similarity NPC144097
0.9281 High Similarity NPC61904
0.9264 High Similarity NPC287889
0.9264 High Similarity NPC72016
0.9264 High Similarity NPC135358
0.9259 High Similarity NPC298171
0.9255 High Similarity NPC187379
0.9255 High Similarity NPC136761
0.925 High Similarity NPC182634
0.925 High Similarity NPC108831
0.9235 High Similarity NPC460984
0.9235 High Similarity NPC223860
0.9235 High Similarity NPC470717
0.9235 High Similarity NPC25946
0.9235 High Similarity NPC21359
0.9235 High Similarity NPC249560
0.9235 High Similarity NPC470713
0.9235 High Similarity NPC470720
0.9235 High Similarity NPC275977
0.9226 High Similarity NPC35167
0.9226 High Similarity NPC253521
0.9226 High Similarity NPC217520
0.9226 High Similarity NPC113836
0.9226 High Similarity NPC139571
0.9226 High Similarity NPC37668
0.9212 High Similarity NPC5319
0.9207 High Similarity NPC298666
0.9207 High Similarity NPC262222
0.9207 High Similarity NPC68592
0.9193 High Similarity NPC138811
0.9193 High Similarity NPC22062
0.9193 High Similarity NPC473634
0.9182 High Similarity NPC29763
0.9182 High Similarity NPC143851
0.9182 High Similarity NPC83283
0.9182 High Similarity NPC210003
0.9182 High Similarity NPC39360
0.9181 High Similarity NPC470719
0.9181 High Similarity NPC33083
0.9181 High Similarity NPC295625
0.9181 High Similarity NPC473554
0.9172 High Similarity NPC179862
0.9141 High Similarity NPC244875
0.9141 High Similarity NPC475382
0.9141 High Similarity NPC150164
0.9136 High Similarity NPC153342
0.9136 High Similarity NPC473623
0.913 High Similarity NPC313163
0.913 High Similarity NPC129827
0.913 High Similarity NPC156457
0.913 High Similarity NPC197896
0.913 High Similarity NPC44931
0.913 High Similarity NPC161749
0.913 High Similarity NPC288084
0.913 High Similarity NPC65003
0.913 High Similarity NPC473512
0.913 High Similarity NPC258035
0.913 High Similarity NPC43638
0.9125 High Similarity NPC95090
0.9125 High Similarity NPC27408
0.9123 High Similarity NPC470416
0.9119 High Similarity NPC259767
0.9119 High Similarity NPC88484
0.9112 High Similarity NPC293626
0.9112 High Similarity NPC196127
0.9112 High Similarity NPC217387
0.9112 High Similarity NPC258044
0.9112 High Similarity NPC267680
0.9085 High Similarity NPC179198
0.9085 High Similarity NPC66087
0.9085 High Similarity NPC311850
0.9085 High Similarity NPC278419
0.9085 High Similarity NPC473644
0.908 High Similarity NPC303913
0.9074 High Similarity NPC43761
0.9074 High Similarity NPC73511
0.9068 High Similarity NPC127406
0.9068 High Similarity NPC473657
0.9068 High Similarity NPC295613
0.9068 High Similarity NPC170475
0.9064 High Similarity NPC36138

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC218161 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
0.9212 High Similarity NPD7804 Clinical (unspecified phase)
0.913 High Similarity NPD4381 Clinical (unspecified phase)
0.8994 High Similarity NPD7808 Phase 3
0.8935 High Similarity NPD7251 Discontinued
0.8882 High Similarity NPD4338 Clinical (unspecified phase)
0.8876 High Similarity NPD6797 Phase 2
0.878 High Similarity NPD7075 Discontinued
0.8757 High Similarity NPD7054 Approved
0.8706 High Similarity NPD7472 Approved
0.8688 High Similarity NPD5403 Approved
0.865 High Similarity NPD6801 Discontinued
0.8598 High Similarity NPD7096 Clinical (unspecified phase)
0.8596 High Similarity NPD7074 Phase 3
0.8562 High Similarity NPD5401 Approved
0.8547 High Similarity NPD7993 Clinical (unspecified phase)
0.8528 High Similarity NPD4380 Phase 2
0.85 High Similarity NPD6799 Approved
0.8483 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.848 Intermediate Similarity NPD3818 Discontinued
0.8471 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8471 Intermediate Similarity NPD6166 Phase 2
0.8471 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8434 Intermediate Similarity NPD5402 Approved
0.84 Intermediate Similarity NPD8313 Approved
0.84 Intermediate Similarity NPD8312 Approved
0.8364 Intermediate Similarity NPD7411 Suspended
0.8363 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.8323 Intermediate Similarity NPD3817 Phase 2
0.8286 Intermediate Similarity NPD6559 Discontinued
0.8274 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8263 Intermediate Similarity NPD8455 Phase 2
0.8214 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8193 Intermediate Similarity NPD6599 Discontinued
0.8187 Intermediate Similarity NPD1549 Phase 2
0.8166 Intermediate Similarity NPD7768 Phase 2
0.8125 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8125 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.811 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.811 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8098 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.8047 Intermediate Similarity NPD7819 Suspended
0.7988 Intermediate Similarity NPD1934 Approved
0.7977 Intermediate Similarity NPD6959 Discontinued
0.7955 Intermediate Similarity NPD3751 Discontinued
0.7953 Intermediate Similarity NPD3882 Suspended
0.7952 Intermediate Similarity NPD1512 Approved
0.7941 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7937 Intermediate Similarity NPD7435 Discontinued
0.7931 Intermediate Similarity NPD3787 Discontinued
0.7907 Intermediate Similarity NPD3749 Approved
0.7888 Intermediate Similarity NPD1510 Phase 2
0.784 Intermediate Similarity NPD2796 Approved
0.7836 Intermediate Similarity NPD2801 Approved
0.7831 Intermediate Similarity NPD1511 Approved
0.7824 Intermediate Similarity NPD8151 Discontinued
0.7784 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7784 Intermediate Similarity NPD7874 Approved
0.7772 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7758 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7758 Intermediate Similarity NPD3750 Approved
0.7709 Intermediate Similarity NPD5844 Phase 1
0.7708 Intermediate Similarity NPD7870 Phase 2
0.7708 Intermediate Similarity NPD7871 Phase 2
0.7697 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7684 Intermediate Similarity NPD6776 Approved
0.7684 Intermediate Similarity NPD6782 Approved
0.7684 Intermediate Similarity NPD6781 Approved
0.7684 Intermediate Similarity NPD6778 Approved
0.7684 Intermediate Similarity NPD6779 Approved
0.7684 Intermediate Similarity NPD6777 Approved
0.7684 Intermediate Similarity NPD6780 Approved
0.7656 Intermediate Similarity NPD7696 Phase 3
0.7656 Intermediate Similarity NPD7698 Approved
0.7656 Intermediate Similarity NPD7697 Approved
0.7647 Intermediate Similarity NPD1653 Approved
0.764 Intermediate Similarity NPD1240 Approved
0.764 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7629 Intermediate Similarity NPD7584 Approved
0.7625 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD1551 Phase 2
0.7617 Intermediate Similarity NPD8319 Approved
0.7617 Intermediate Similarity NPD8320 Phase 1
0.7602 Intermediate Similarity NPD7458 Discontinued
0.7598 Intermediate Similarity NPD7473 Discontinued
0.759 Intermediate Similarity NPD7701 Phase 2
0.7588 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7584 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7582 Intermediate Similarity NPD7685 Pre-registration
0.7563 Intermediate Similarity NPD7783 Phase 2
0.7563 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7546 Intermediate Similarity NPD1607 Approved
0.7545 Intermediate Similarity NPD4628 Phase 3
0.7528 Intermediate Similarity NPD6232 Discontinued
0.7516 Intermediate Similarity NPD6798 Discontinued
0.7514 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7488 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7487 Intermediate Similarity NPD7699 Phase 2
0.7487 Intermediate Similarity NPD7700 Phase 2
0.7475 Intermediate Similarity NPD7801 Approved
0.7472 Intermediate Similarity NPD7199 Phase 2
0.7469 Intermediate Similarity NPD6233 Phase 2
0.7459 Intermediate Similarity NPD7228 Approved
0.7455 Intermediate Similarity NPD3748 Approved
0.7429 Intermediate Similarity NPD1465 Phase 2
0.7425 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7421 Intermediate Similarity NPD6534 Approved
0.7421 Intermediate Similarity NPD6535 Approved
0.7416 Intermediate Similarity NPD5494 Approved
0.7411 Intermediate Similarity NPD7585 Approved
0.7396 Intermediate Similarity NPD6190 Approved
0.7391 Intermediate Similarity NPD6832 Phase 2
0.738 Intermediate Similarity NPD8150 Discontinued
0.7378 Intermediate Similarity NPD1933 Approved
0.736 Intermediate Similarity NPD919 Approved
0.736 Intermediate Similarity NPD7583 Approved
0.7333 Intermediate Similarity NPD6823 Phase 2
0.7322 Intermediate Similarity NPD7286 Phase 2
0.7312 Intermediate Similarity NPD1203 Approved
0.7287 Intermediate Similarity NPD8434 Phase 2
0.7283 Intermediate Similarity NPD920 Approved
0.7267 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7262 Intermediate Similarity NPD7266 Discontinued
0.7251 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD7033 Discontinued
0.7243 Intermediate Similarity NPD5953 Discontinued
0.7209 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7202 Intermediate Similarity NPD2935 Discontinued
0.7195 Intermediate Similarity NPD2313 Discontinued
0.7186 Intermediate Similarity NPD7097 Phase 1
0.7176 Intermediate Similarity NPD1243 Approved
0.7176 Intermediate Similarity NPD1652 Phase 2
0.7175 Intermediate Similarity NPD37 Approved
0.717 Intermediate Similarity NPD1091 Approved
0.7169 Intermediate Similarity NPD6355 Discontinued
0.7167 Intermediate Similarity NPD6234 Discontinued
0.7151 Intermediate Similarity NPD4965 Approved
0.7151 Intermediate Similarity NPD4966 Approved
0.7151 Intermediate Similarity NPD4967 Phase 2
0.7112 Intermediate Similarity NPD7240 Approved
0.711 Intermediate Similarity NPD7390 Discontinued
0.7104 Intermediate Similarity NPD3926 Phase 2
0.7102 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7102 Intermediate Similarity NPD3226 Approved
0.7088 Intermediate Similarity NPD1247 Approved
0.7073 Intermediate Similarity NPD4908 Phase 1
0.7069 Intermediate Similarity NPD2532 Approved
0.7069 Intermediate Similarity NPD2533 Approved
0.7069 Intermediate Similarity NPD2534 Approved
0.7066 Intermediate Similarity NPD5124 Phase 1
0.7066 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD2799 Discontinued
0.7037 Intermediate Similarity NPD3225 Approved
0.7031 Intermediate Similarity NPD4287 Approved
0.7024 Intermediate Similarity NPD6651 Approved
0.7022 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD9717 Approved
0.701 Intermediate Similarity NPD6212 Phase 3
0.701 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.701 Intermediate Similarity NPD6213 Phase 3
0.7006 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD1613 Approved
0.6994 Remote Similarity NPD3887 Approved
0.6994 Remote Similarity NPD2354 Approved
0.6988 Remote Similarity NPD3268 Approved
0.6988 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6984 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6977 Remote Similarity NPD2800 Approved
0.6974 Remote Similarity NPD4363 Phase 3
0.6974 Remote Similarity NPD4360 Phase 2
0.6964 Remote Similarity NPD230 Phase 1
0.6964 Remote Similarity NPD4340 Discontinued
0.6959 Remote Similarity NPD2344 Approved
0.6957 Remote Similarity NPD422 Phase 1
0.6954 Remote Similarity NPD7440 Discontinued
0.6951 Remote Similarity NPD2798 Approved
0.6946 Remote Similarity NPD4062 Phase 3
0.6936 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6918 Remote Similarity NPD1548 Phase 1
0.6906 Remote Similarity NPD4288 Approved
0.6905 Remote Similarity NPD943 Approved
0.6901 Remote Similarity NPD5404 Approved
0.6901 Remote Similarity NPD5405 Approved
0.6901 Remote Similarity NPD5406 Approved
0.6901 Remote Similarity NPD5408 Approved
0.6898 Remote Similarity NPD7799 Discontinued
0.689 Remote Similarity NPD2797 Approved
0.6889 Remote Similarity NPD6844 Discontinued
0.6881 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6866 Remote Similarity NPD7680 Approved
0.6864 Remote Similarity NPD447 Suspended
0.6864 Remote Similarity NPD1899 Clinical (unspecified phase)
0.686 Remote Similarity NPD7930 Approved
0.686 Remote Similarity NPD2346 Discontinued
0.6842 Remote Similarity NPD4308 Phase 3
0.6839 Remote Similarity NPD7003 Approved
0.6836 Remote Similarity NPD5049 Phase 3
0.6822 Remote Similarity NPD8059 Phase 3
0.6822 Remote Similarity NPD8058 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   10439991
ChEMBL   CHEMBL3628129
ZINC  

Physicochemical Properties

Molecular Weight:  740.17
ALogP:  -3.8918
MLogP:  4.1
XLogP:  4.734
# Rotatable Bonds:  19
Polar Surface Area:  238.97
# H-Bond Aceptor:  9
# H-Bond Donor:  7
# Rings:  6
# Heavy Atoms:  54

Download Data

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