Natural Product: NPC475566

Natural Product ID:  NPC475566
Common Name:   3Alpha-(3,4,5-Trimethoxybenzoyloxy)-6Beta-(E)-(3,4,5-Trimethoxycinnamoyloxy)-7Beta-Hydroxytropanen-Oxide
IUPAC Name:   [(3S,6R,7S)-7-hydroxy-8-methyl-8-oxido-6-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy-8-azoniabicyclo[3.2.1]octan-3-yl] 3,4,5-trimethoxybenzoate
Synonyms:   Pervilleine A N-oxide
Molecular Formula:   C30H37NO12
Standard InCHIKey:  IIQSEOKVYKKMBG-KOOYXILRSA-N
Standard InCHI:  InChI=1S/C30H37NO12/c1-31(35)19-14-18(42-30(34)17-12-23(38-4)29(41-7)24(13-17)39-5)15-20(31)27(26(19)33)43-25(32)9-8-16-10-21(36-2)28(40-6)22(11-16)37-3/h8-13,18-20,26-27,33H,14-15H2,1-7H3/b9-8+/t18-,19?,20?,26-,27+,31?/m0/s1
Canonical SMILES:  COc1c(OC)cc(cc1OC)/C=C/C(=O)O[C@H]1[C@@H](O)C2N(=O)(C1C[C@H](C2)OC(=O)c1cc(OC)c(c(c1)OC)OC)C
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
NPO33258 erythroxylum pervillei Species Erythroxylaceae Eukaryota PMID[11754602]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified ED50 > 20 ug/ml Open TG-GATES in vivo data: Organ Weight
NPT146 Cell Line SK-OV-3 Homo sapiens IC50 > 10000 nM DrugMatrix in vitro pharmacology data
NPT2 Others Unspecified ED50 > 20 ug/ml 24359277
NPT2 Others Unspecified ED50 > 20 ug/ml 16378377
NPT2345 Cell Line SW626 Homo sapiens ED50 > 20 ug/ml 17060530
NPT858 Cell Line LNCaP Homo sapiens ED50 > 20 ug/ml 17060530
NPT1034 Cell Line Lu1 Homo sapiens ED50 > 20 ug/ml 24467317
NPT1851 Cell Line Col2 Homo sapiens ED50 > 20 ug/ml 21982797
NPT2 Others Unspecified IC50 > 10000 nM 20739103
NPT2 Others Unspecified IC50 > 10000 nM PubChem BioAssay data set
NPT91 Cell Line KB Homo sapiens ED50 > 20 ug/ml DrugMatrix in vivo data: Biochemistry

  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 NPC475566 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
0.9408 High Similarity NPC473562
0.9112 High Similarity NPC329992
0.8953 High Similarity NPC329816
0.8802 High Similarity NPC26353
0.8706 High Similarity NPC329717
0.8706 High Similarity NPC474858
0.8647 High Similarity NPC35345
0.8412 Intermediate Similarity NPC329640
0.8065 Intermediate Similarity NPC94499
0.801 Intermediate Similarity NPC286135
0.7946 Intermediate Similarity NPC162694
0.7903 Intermediate Similarity NPC141440
0.7895 Intermediate Similarity NPC83019
0.7857 Intermediate Similarity NPC35680
0.7842 Intermediate Similarity NPC204580
0.7795 Intermediate Similarity NPC80472
0.7789 Intermediate Similarity NPC33256
0.7746 Intermediate Similarity NPC473091
0.7657 Intermediate Similarity NPC75695
0.7657 Intermediate Similarity NPC228662
0.764 Intermediate Similarity NPC158900
0.764 Intermediate Similarity NPC472860
0.7627 Intermediate Similarity NPC145425
0.7598 Intermediate Similarity NPC289811
0.7598 Intermediate Similarity NPC160780
0.7572 Intermediate Similarity NPC214239
0.7556 Intermediate Similarity NPC239966
0.7556 Intermediate Similarity NPC203020
0.7551 Intermediate Similarity NPC119818
0.7551 Intermediate Similarity NPC2173
0.7551 Intermediate Similarity NPC202771
0.7551 Intermediate Similarity NPC328700
0.7542 Intermediate Similarity NPC1913
0.7542 Intermediate Similarity NPC226759
0.7529 Intermediate Similarity NPC469539
0.7529 Intermediate Similarity NPC469540
0.7514 Intermediate Similarity NPC472859
0.7514 Intermediate Similarity NPC105827
0.7514 Intermediate Similarity NPC19380
0.7514 Intermediate Similarity NPC25389
0.7514 Intermediate Similarity NPC310661
0.7514 Intermediate Similarity NPC311803
0.7514 Intermediate Similarity NPC146277
0.7513 Intermediate Similarity NPC18306
0.75 Intermediate Similarity NPC226738
0.75 Intermediate Similarity NPC22176
0.75 Intermediate Similarity NPC190587
0.75 Intermediate Similarity NPC62354
0.75 Intermediate Similarity NPC121573
0.7486 Intermediate Similarity NPC476394
0.7486 Intermediate Similarity NPC98809
0.7473 Intermediate Similarity NPC41009
0.7473 Intermediate Similarity NPC33298
0.7473 Intermediate Similarity NPC285108
0.7472 Intermediate Similarity NPC43872
0.7472 Intermediate Similarity NPC144801
0.7472 Intermediate Similarity NPC238672
0.7472 Intermediate Similarity NPC197188
0.7472 Intermediate Similarity NPC116850
0.7472 Intermediate Similarity NPC291510
0.7471 Intermediate Similarity NPC12218
0.7471 Intermediate Similarity NPC75763
0.7471 Intermediate Similarity NPC225036
0.7471 Intermediate Similarity NPC105525
0.7459 Intermediate Similarity NPC119125
0.7459 Intermediate Similarity NPC24627
0.7459 Intermediate Similarity NPC166277
0.7459 Intermediate Similarity NPC476373
0.7459 Intermediate Similarity NPC53889
0.7458 Intermediate Similarity NPC163883
0.7458 Intermediate Similarity NPC93498
0.7458 Intermediate Similarity NPC134905
0.7458 Intermediate Similarity NPC36130
0.7444 Intermediate Similarity NPC77679
0.7444 Intermediate Similarity NPC190020
0.7444 Intermediate Similarity NPC104275
0.7444 Intermediate Similarity NPC4747
0.7444 Intermediate Similarity NPC84935
0.7437 Intermediate Similarity NPC476500
0.7433 Intermediate Similarity NPC309692
0.7429 Intermediate Similarity NPC472969
0.7425 Intermediate Similarity NPC288743
0.7416 Intermediate Similarity NPC137813
0.7412 Intermediate Similarity NPC239943
0.7405 Intermediate Similarity NPC254053
0.7403 Intermediate Similarity NPC74319
0.7403 Intermediate Similarity NPC87317
0.7403 Intermediate Similarity NPC287872
0.7401 Intermediate Similarity NPC243891
0.7399 Intermediate Similarity NPC473090
0.7394 Intermediate Similarity NPC84482
0.7394 Intermediate Similarity NPC169645
0.7394 Intermediate Similarity NPC469354
0.7391 Intermediate Similarity NPC475738
0.7389 Intermediate Similarity NPC150227
0.7381 Intermediate Similarity NPC155098
0.738 Intermediate Similarity NPC470685
0.7377 Intermediate Similarity NPC148273
0.7377 Intermediate Similarity NPC476371
0.7377 Intermediate Similarity NPC476372
0.7374 Intermediate Similarity NPC287504
0.7374 Intermediate Similarity NPC194095
0.7374 Intermediate Similarity NPC191046
0.7374 Intermediate Similarity NPC25127
0.7374 Intermediate Similarity NPC327032
0.7366 Intermediate Similarity NPC658
0.7366 Intermediate Similarity NPC197708
0.7363 Intermediate Similarity NPC289346
0.7363 Intermediate Similarity NPC24164
0.7363 Intermediate Similarity NPC474936
0.736 Intermediate Similarity NPC267091
0.736 Intermediate Similarity NPC151425
0.736 Intermediate Similarity NPC476434
0.736 Intermediate Similarity NPC476661
0.7356 Intermediate Similarity NPC469683
0.7353 Intermediate Similarity NPC110899
0.7353 Intermediate Similarity NPC95679
0.7353 Intermediate Similarity NPC112068
0.7353 Intermediate Similarity NPC25305
0.7353 Intermediate Similarity NPC125417
0.7348 Intermediate Similarity NPC68324
0.7348 Intermediate Similarity NPC160512
0.7348 Intermediate Similarity NPC38779
0.7348 Intermediate Similarity NPC156818
0.7348 Intermediate Similarity NPC289322
0.7348 Intermediate Similarity NPC114179
0.7347 Intermediate Similarity NPC70290
0.7347 Intermediate Similarity NPC124302
0.7347 Intermediate Similarity NPC215098
0.7347 Intermediate Similarity NPC46744
0.7347 Intermediate Similarity NPC73020
0.7347 Intermediate Similarity NPC14622
0.7345 Intermediate Similarity NPC227980
0.7345 Intermediate Similarity NPC306343
0.7333 Intermediate Similarity NPC172920
0.7333 Intermediate Similarity NPC82592
0.7333 Intermediate Similarity NPC199926
0.7333 Intermediate Similarity NPC156624
0.7333 Intermediate Similarity NPC16082
0.7333 Intermediate Similarity NPC10205
0.7333 Intermediate Similarity NPC203757
0.733 Intermediate Similarity NPC142528
0.733 Intermediate Similarity NPC248257
0.733 Intermediate Similarity NPC120621
0.7323 Intermediate Similarity NPC476662
0.7318 Intermediate Similarity NPC44730
0.7314 Intermediate Similarity NPC213482
0.7314 Intermediate Similarity NPC98356
0.7312 Intermediate Similarity NPC116745
0.731 Intermediate Similarity NPC207516
0.7303 Intermediate Similarity NPC140151
0.7299 Intermediate Similarity NPC229036
0.7299 Intermediate Similarity NPC469615
0.7299 Intermediate Similarity NPC469978
0.7297 Intermediate Similarity NPC142614
0.7297 Intermediate Similarity NPC471788
0.7293 Intermediate Similarity NPC250436
0.7293 Intermediate Similarity NPC291948
0.7293 Intermediate Similarity NPC88803
0.7293 Intermediate Similarity NPC104983
0.7293 Intermediate Similarity NPC471405
0.7293 Intermediate Similarity NPC300845
0.7292 Intermediate Similarity NPC230098
0.7288 Intermediate Similarity NPC92117
0.7288 Intermediate Similarity NPC75945
0.7288 Intermediate Similarity NPC111785
0.7288 Intermediate Similarity NPC42464
0.7287 Intermediate Similarity NPC102851
0.7287 Intermediate Similarity NPC5786
0.7283 Intermediate Similarity NPC4013
0.7283 Intermediate Similarity NPC90905
0.7278 Intermediate Similarity NPC281477
0.7277 Intermediate Similarity NPC94687
0.7277 Intermediate Similarity NPC106840
0.7277 Intermediate Similarity NPC476495
0.7273 Intermediate Similarity NPC314100
0.7273 Intermediate Similarity NPC226652
0.7273 Intermediate Similarity NPC72788
0.7273 Intermediate Similarity NPC120671
0.7263 Intermediate Similarity NPC240768
0.7263 Intermediate Similarity NPC200773
0.7263 Intermediate Similarity NPC215921
0.7263 Intermediate Similarity NPC70016
0.7258 Intermediate Similarity NPC119589
0.7258 Intermediate Similarity NPC43065
0.7257 Intermediate Similarity NPC108455
0.7254 Intermediate Similarity NPC469437
0.7253 Intermediate Similarity NPC133984
0.7249 Intermediate Similarity NPC163165
0.7246 Intermediate Similarity NPC299010
0.7243 Intermediate Similarity NPC124038
0.7238 Intermediate Similarity NPC222185
0.7238 Intermediate Similarity NPC79998
0.7235 Intermediate Similarity NPC18646
0.7234 Intermediate Similarity NPC180768
0.7234 Intermediate Similarity NPC212748
0.7232 Intermediate Similarity NPC43123
0.7232 Intermediate Similarity NPC294972
0.7228 Intermediate Similarity NPC326895
0.7225 Intermediate Similarity NPC138438

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC475566 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
0.8571 High Similarity NPD5353 Approved
0.7965 Intermediate Similarity NPD6386 Approved
0.7965 Intermediate Similarity NPD6385 Approved
0.7921 Intermediate Similarity NPD5242 Approved
0.7551 Intermediate Similarity NPD5005 Approved
0.7551 Intermediate Similarity NPD5006 Approved
0.7529 Intermediate Similarity NPD4237 Approved
0.7529 Intermediate Similarity NPD4236 Phase 3
0.7461 Intermediate Similarity NPD3473 Clinical (unspecified phase)
0.7433 Intermediate Similarity NPD7039 Approved
0.7433 Intermediate Similarity NPD7038 Approved
0.7389 Intermediate Similarity NPD5019 Clinical (unspecified phase)
0.7377 Intermediate Similarity NPD5710 Approved
0.7377 Intermediate Similarity NPD5711 Approved
0.736 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7347 Intermediate Similarity NPD4420 Approved
0.7293 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD7907 Approved
0.7222 Intermediate Similarity NPD7565 Approved
0.7219 Intermediate Similarity NPD2163 Approved
0.7211 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7192 Intermediate Similarity NPD7701 Phase 2
0.7178 Intermediate Similarity NPD7999 Approved
0.7177 Intermediate Similarity NPD4111 Phase 1
0.7177 Intermediate Similarity NPD4665 Approved
0.7171 Intermediate Similarity NPD5676 Approved
0.7164 Intermediate Similarity NPD7497 Discontinued
0.7143 Intermediate Similarity NPD3817 Phase 2
0.7136 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7128 Intermediate Similarity NPD3818 Discontinued
0.7123 Intermediate Similarity NPD5619 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD3146 Approved
0.7119 Intermediate Similarity NPD3688 Clinical (unspecified phase)
0.7118 Intermediate Similarity NPD230 Phase 1
0.7114 Intermediate Similarity NPD3057 Approved
0.7114 Intermediate Similarity NPD3533 Approved
0.7114 Intermediate Similarity NPD2972 Approved
0.71 Intermediate Similarity NPD4107 Approved
0.7088 Intermediate Similarity NPD5773 Approved
0.7088 Intermediate Similarity NPD5772 Approved
0.7065 Intermediate Similarity NPD4482 Phase 3
0.7062 Intermediate Similarity NPD5297 Approved
0.7041 Intermediate Similarity NPD3808 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD2975 Approved
0.7035 Intermediate Similarity NPD2973 Approved
0.7035 Intermediate Similarity NPD2974 Approved
0.7033 Intermediate Similarity NPD1934 Approved
0.7033 Intermediate Similarity NPD6844 Discontinued
0.7031 Intermediate Similarity NPD7549 Discontinued
0.703 Intermediate Similarity NPD2491 Approved
0.7029 Intermediate Similarity NPD2654 Approved
0.7011 Intermediate Similarity NPD3882 Suspended
0.7 Intermediate Similarity NPD7054 Approved
0.7 Intermediate Similarity NPD5844 Phase 1
0.6986 Remote Similarity NPD7930 Approved
0.698 Remote Similarity NPD2494 Approved
0.698 Remote Similarity NPD2493 Approved
0.6979 Remote Similarity NPD7685 Pre-registration
0.6963 Remote Similarity NPD7472 Approved
0.6963 Remote Similarity NPD7074 Phase 3
0.6961 Remote Similarity NPD8320 Phase 1
0.6961 Remote Similarity NPD8319 Approved
0.6961 Remote Similarity NPD3455 Phase 2
0.6957 Remote Similarity NPD5977 Approved
0.6957 Remote Similarity NPD5978 Approved
0.6946 Remote Similarity NPD3448 Approved
0.6943 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6931 Remote Similarity NPD6166 Phase 2
0.6931 Remote Similarity NPD4580 Approved
0.6931 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6931 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6927 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6923 Remote Similarity NPD1337 Clinical (unspecified phase)
0.6919 Remote Similarity NPD7296 Approved
0.6906 Remote Similarity NPD3686 Approved
0.6906 Remote Similarity NPD3687 Approved
0.6902 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6902 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6902 Remote Similarity NPD2801 Approved
0.6898 Remote Similarity NPD5677 Discontinued
0.6898 Remote Similarity NPD5494 Approved
0.6897 Remote Similarity NPD3452 Approved
0.6897 Remote Similarity NPD3450 Approved
0.6893 Remote Similarity NPD7583 Approved
0.6885 Remote Similarity NPD6873 Phase 2
0.6882 Remote Similarity NPD7075 Discontinued
0.6878 Remote Similarity NPD4582 Approved
0.6878 Remote Similarity NPD4583 Approved
0.6868 Remote Similarity NPD824 Approved
0.6864 Remote Similarity NPD6625 Approved
0.686 Remote Similarity NPD3140 Approved
0.686 Remote Similarity NPD3142 Approved
0.686 Remote Similarity NPD7585 Approved
0.6857 Remote Similarity NPD2239 Approved
0.6857 Remote Similarity NPD2240 Approved
0.6856 Remote Similarity NPD7808 Phase 3
0.6854 Remote Similarity NPD5307 Clinical (unspecified phase)
0.6854 Remote Similarity NPD6190 Approved
0.6851 Remote Similarity NPD1670 Discontinued
0.6848 Remote Similarity NPD37 Approved
0.6847 Remote Similarity NPD7048 Phase 3
0.6833 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6831 Remote Similarity NPD4380 Phase 2
0.6829 Remote Similarity NPD4004 Approved
0.6829 Remote Similarity NPD4002 Approved
0.6828 Remote Similarity NPD4965 Approved
0.6828 Remote Similarity NPD4966 Approved
0.6828 Remote Similarity NPD4967 Phase 2
0.6827 Remote Similarity NPD8151 Discontinued
0.6825 Remote Similarity NPD6232 Discontinued
0.6818 Remote Similarity NPD7235 Clinical (unspecified phase)
0.6818 Remote Similarity NPD6377 Clinical (unspecified phase)
0.6816 Remote Similarity NPD4361 Phase 2
0.6816 Remote Similarity NPD4362 Clinical (unspecified phase)
0.6816 Remote Similarity NPD7667 Clinical (unspecified phase)
0.6813 Remote Similarity NPD4210 Discontinued
0.6811 Remote Similarity NPD6818 Clinical (unspecified phase)
0.6811 Remote Similarity NPD1465 Phase 2
0.6811 Remote Similarity NPD7819 Suspended
0.6806 Remote Similarity NPD7473 Discontinued
0.6804 Remote Similarity NPD7251 Discontinued
0.6798 Remote Similarity NPD2575 Approved
0.6794 Remote Similarity NPD5726 Clinical (unspecified phase)
0.6793 Remote Similarity NPD6677 Suspended
0.6791 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6791 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6786 Remote Similarity NPD6853 Approved
0.6786 Remote Similarity NPD6851 Approved
0.6782 Remote Similarity NPD6621 Clinical (unspecified phase)
0.6778 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6778 Remote Similarity NPD1774 Approved
0.6776 Remote Similarity NPD8158 Clinical (unspecified phase)
0.6776 Remote Similarity NPD2649 Approved
0.6776 Remote Similarity NPD2651 Approved
0.6772 Remote Similarity NPD7199 Phase 2
0.6771 Remote Similarity NPD7228 Approved
0.6766 Remote Similarity NPD4363 Phase 3
0.6766 Remote Similarity NPD4360 Phase 2
0.6762 Remote Similarity NPD7783 Phase 2
0.6762 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6761 Remote Similarity NPD6032 Approved
0.6755 Remote Similarity NPD6234 Discontinued
0.6754 Remote Similarity NPD7784 Clinical (unspecified phase)
0.6754 Remote Similarity NPD4575 Clinical (unspecified phase)
0.6753 Remote Similarity NPD6797 Phase 2
0.6751 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6739 Remote Similarity NPD4675 Approved
0.6739 Remote Similarity NPD4678 Approved
0.673 Remote Similarity NPD7827 Phase 1
0.6721 Remote Similarity NPD1653 Approved
0.672 Remote Similarity NPD2977 Approved
0.672 Remote Similarity NPD2978 Approved
0.672 Remote Similarity NPD6668 Clinical (unspecified phase)
0.6717 Remote Similarity NPD3863 Clinical (unspecified phase)
0.6716 Remote Similarity NPD7811 Phase 3
0.6716 Remote Similarity NPD7810 Phase 3
0.6716 Remote Similarity NPD8285 Discontinued
0.6714 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6714 Remote Similarity NPD7047 Phase 3
0.6714 Remote Similarity NPD7874 Approved
0.6704 Remote Similarity NPD4628 Phase 3
0.6703 Remote Similarity NPD5889 Approved
0.6703 Remote Similarity NPD5890 Approved
0.6703 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6702 Remote Similarity NPD4381 Clinical (unspecified phase)
0.67 Remote Similarity NPD5525 Clinical (unspecified phase)
0.6698 Remote Similarity NPD2899 Discontinued
0.6685 Remote Similarity NPD6799 Approved
0.6685 Remote Similarity NPD4357 Discontinued
0.6684 Remote Similarity NPD8127 Discontinued
0.6684 Remote Similarity NPD5402 Approved
0.6684 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6684 Remote Similarity NPD6107 Approved
0.6683 Remote Similarity NPD6780 Approved
0.6683 Remote Similarity NPD6781 Approved
0.6683 Remote Similarity NPD6777 Approved
0.6683 Remote Similarity NPD6782 Approved
0.6683 Remote Similarity NPD6776 Approved
0.6683 Remote Similarity NPD6779 Approved
0.6683 Remote Similarity NPD7906 Approved
0.6683 Remote Similarity NPD6778 Approved
0.6682 Remote Similarity NPD6997 Phase 2
0.6682 Remote Similarity NPD8404 Phase 2
0.6667 Remote Similarity NPD3451 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7696 Phase 3
0.6667 Remote Similarity NPD7697 Approved
0.6667 Remote Similarity NPD7577 Discontinued
0.6667 Remote Similarity NPD7698 Approved
0.6667 Remote Similarity NPD6801 Discontinued
0.6667 Remote Similarity NPD4481 Phase 3
0.665 Remote Similarity NPD7311 Approved
0.665 Remote Similarity NPD7312 Approved
0.665 Remote Similarity NPD3534 Clinical (unspecified phase)
0.665 Remote Similarity NPD7313 Approved
0.665 Remote Similarity NPD7310 Approved
0.6648 Remote Similarity NPD2976 Clinical (unspecified phase)
0.6648 Remote Similarity NPD7447 Phase 1
0.6635 Remote Similarity NPD7870 Phase 2

Structure

External Identifiers

PubChem CID   44576219
ChEMBL   CHEMBL508381
ZINC  

Physicochemical Properties

Molecular Weight:  603.23
ALogP:  
MLogP:  3.33
XLogP:  
# Rotatable Bonds:  21
Polar Surface Area:  145.28
# H-Bond Aceptor:  11
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  43

Download Data

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