Natural Product: NPC229234

Natural Product ID:  NPC229234
Common Name:   Incarvillateine
IUPAC Name:  
Synonyms:   Incarvillateine
Molecular Formula:   C42H58N2O8
Standard InCHIKey:  VQKTZIKAARDZIA-FYBVMHBNSA-N
Standard InCHI:  InChI=1S/C42H58N2O8/c1-21-17-43(5)19-29-23(3)33(15-27(21)29)51-41(47)39-37(25-9-11-31(45)35(13-25)49-7)40(38(39)26-10-12-32(46)36(14-26)50-8)42(48)52-34-16-28-22(2)18-44(6)20-30(28)24(34)4/h9-14,21-24,27-30,33-34,37-40,45-46H,15-20H2,1-8H3/t21-,22-,23-,24-,27-,28-,29-,30-,33+,34+,37-,38-,39-,40-/m0/s1
Canonical SMILES:  COc1cc(ccc1O)[C@@H]1[C@H](C(=O)O[C@@H]2C[C@@H]3[C@H]([C@@H]2C)CN(C[C@@H]3C)C)[C@H]([C@H]1C(=O)O[C@@H]1C[C@@H]2[C@H]([C@@H]1C)CN(C[C@@H]2C)C)c1ccc(c(c1)OC)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
NPO915 Xylaria polymorpha Species Xylariaceae Eukaryota UNPD*
NPO8150 Calibrachoa parviflora Species Solanaceae Eukaryota UNPD*
NPO5294 Stemona ovata Species Stemonaceae Eukaryota UNPD*
NPO12165 Comanthosphace japonica Species Lamiaceae Eukaryota UNPD*
NPO12281 Aleurodiscus amorphus Species Stereaceae Eukaryota UNPD*
NPO2349 Picrasma excelsa Species Simaroubaceae Eukaryota UNPD*
NPO11470 Sorghum caudatum Species Poaceae Eukaryota UNPD*
NPO5715 Hyalodendriella betulae Species NA Eukaryota UNPD*
NPO11308 Rohdea japonica Species Asparagaceae Eukaryota UNPD*
NPO11944 Incarvillea sinensis Species Bignoniaceae Eukaryota UNPD*
NPO4845 Arachniodes standishii Species Dryopteridaceae Eukaryota UNPD*
NPO3700 Frasera speciosa Species Gentianaceae Eukaryota UNPD*
NPO7109 Eugenia edulis Species Myrtaceae Eukaryota UNPD*
NPO12054 Holostylis reniformis Species Aristolochiaceae Eukaryota UNPD*
NPO4988 Lavandula stoechas Species Lamiaceae Eukaryota UNPD*
NPO622 Stictina crocata NA NA NA UNPD*
NPO11139 Godmania aesculifolia Species Bignoniaceae Eukaryota UNPD*
NPO6055 Enkianthus cernuus Species Ericaceae Eukaryota UNPD*
NPO11829 Acacia ehrenbergiana Species Fabaceae Eukaryota UNPD*
NPO6900 Koenigia divaricata Species Polygonaceae Eukaryota UNPD*
NPO9878 Dichapetalum gelonioides Species Dichapetalaceae Eukaryota UNPD*
NPO20351 Aspergillus stellatus Species Aspergillaceae Eukaryota UNPD*
NPO7492 Mucuna birdwoodiana Species Fabaceae 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 ED50 = 7.8 umol/kg 10514316
NPT32 Organism Mus musculus Mus musculus ED50 = 17.4 umol/kg 10514316
NPT32 Organism Mus musculus Mus musculus Activity = 1.06 10514316
NPT32 Organism Mus musculus Mus musculus Activity = 1.33 10514316
NPT32 Organism Mus musculus Mus musculus Inhibition = 78.5 % 27022999
NPT32 Organism Mus musculus Mus musculus Inhibition = 69.2 % 27022999

  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 NPC229234 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
0.7717 Intermediate Similarity NPC32154
0.7701 Intermediate Similarity NPC230098
0.7692 Intermediate Similarity NPC21956
0.7663 Intermediate Similarity NPC329816
0.7654 Intermediate Similarity NPC35345
0.764 Intermediate Similarity NPC179914
0.7614 Intermediate Similarity NPC258128
0.7609 Intermediate Similarity NPC241704
0.7584 Intermediate Similarity NPC158900
0.7565 Intermediate Similarity NPC83019
0.7552 Intermediate Similarity NPC308709
0.7538 Intermediate Similarity NPC476496
0.753 Intermediate Similarity NPC4982
0.753 Intermediate Similarity NPC176814
0.753 Intermediate Similarity NPC5310
0.753 Intermediate Similarity NPC300776
0.753 Intermediate Similarity NPC68779
0.7529 Intermediate Similarity NPC192768
0.7529 Intermediate Similarity NPC151895
0.7529 Intermediate Similarity NPC97221
0.7529 Intermediate Similarity NPC220858
0.7529 Intermediate Similarity NPC88249
0.7526 Intermediate Similarity NPC267414
0.7525 Intermediate Similarity NPC326895
0.7514 Intermediate Similarity NPC250846
0.7514 Intermediate Similarity NPC317272
0.7514 Intermediate Similarity NPC42549
0.7514 Intermediate Similarity NPC145847
0.7514 Intermediate Similarity NPC268503
0.7514 Intermediate Similarity NPC240841
0.7514 Intermediate Similarity NPC256012
0.7513 Intermediate Similarity NPC162694
0.7513 Intermediate Similarity NPC204580
0.7513 Intermediate Similarity NPC169605
0.75 Intermediate Similarity NPC281780
0.75 Intermediate Similarity NPC223185
0.7487 Intermediate Similarity NPC94687
0.7487 Intermediate Similarity NPC476495
0.7487 Intermediate Similarity NPC106840
0.7475 Intermediate Similarity NPC476500
0.7474 Intermediate Similarity NPC174122
0.7474 Intermediate Similarity NPC64140
0.7473 Intermediate Similarity NPC109990
0.7471 Intermediate Similarity NPC100675
0.7458 Intermediate Similarity NPC39701
0.7458 Intermediate Similarity NPC249797
0.7458 Intermediate Similarity NPC5238
0.7458 Intermediate Similarity NPC189266
0.7458 Intermediate Similarity NPC469817
0.7458 Intermediate Similarity NPC172765
0.7458 Intermediate Similarity NPC127674
0.7458 Intermediate Similarity NPC105942
0.7458 Intermediate Similarity NPC115466
0.7458 Intermediate Similarity NPC295691
0.7458 Intermediate Similarity NPC299706
0.7458 Intermediate Similarity NPC2413
0.7458 Intermediate Similarity NPC276588
0.7458 Intermediate Similarity NPC54379
0.7458 Intermediate Similarity NPC61604
0.7458 Intermediate Similarity NPC204828
0.7458 Intermediate Similarity NPC278799
0.7458 Intermediate Similarity NPC207757
0.7458 Intermediate Similarity NPC184026
0.7458 Intermediate Similarity NPC205392
0.7458 Intermediate Similarity NPC193949
0.7458 Intermediate Similarity NPC245615
0.7458 Intermediate Similarity NPC110416
0.7452 Intermediate Similarity NPC475624
0.745 Intermediate Similarity NPC293347
0.7433 Intermediate Similarity NPC474745
0.743 Intermediate Similarity NPC111485
0.7427 Intermediate Similarity NPC253481
0.7427 Intermediate Similarity NPC253722
0.7427 Intermediate Similarity NPC31751
0.7421 Intermediate Similarity NPC234069
0.7414 Intermediate Similarity NPC428
0.7414 Intermediate Similarity NPC476571
0.7414 Intermediate Similarity NPC246587
0.7414 Intermediate Similarity NPC135538
0.7414 Intermediate Similarity NPC24233
0.7414 Intermediate Similarity NPC147390
0.7405 Intermediate Similarity NPC266545
0.7405 Intermediate Similarity NPC202428
0.7401 Intermediate Similarity NPC267091
0.7394 Intermediate Similarity NPC473562
0.7384 Intermediate Similarity NPC273657
0.7384 Intermediate Similarity NPC106920
0.7384 Intermediate Similarity NPC477696
0.7384 Intermediate Similarity NPC477697
0.7384 Intermediate Similarity NPC470811
0.7381 Intermediate Similarity NPC113295
0.738 Intermediate Similarity NPC474325
0.7374 Intermediate Similarity NPC38699
0.7374 Intermediate Similarity NPC235698
0.7371 Intermediate Similarity NPC470646
0.7371 Intermediate Similarity NPC1580
0.7368 Intermediate Similarity NPC29599
0.7368 Intermediate Similarity NPC282291
0.7368 Intermediate Similarity NPC166137
0.7363 Intermediate Similarity NPC121275
0.7363 Intermediate Similarity NPC276944
0.7363 Intermediate Similarity NPC232514
0.7363 Intermediate Similarity NPC284183
0.7363 Intermediate Similarity NPC4138
0.7363 Intermediate Similarity NPC238530
0.7356 Intermediate Similarity NPC470846
0.7356 Intermediate Similarity NPC179825
0.7356 Intermediate Similarity NPC191376
0.7356 Intermediate Similarity NPC321505
0.7354 Intermediate Similarity NPC30779
0.7351 Intermediate Similarity NPC177362
0.7345 Intermediate Similarity NPC243891
0.7337 Intermediate Similarity NPC471988
0.7337 Intermediate Similarity NPC473748
0.7337 Intermediate Similarity NPC90431
0.7333 Intermediate Similarity NPC478055
0.7333 Intermediate Similarity NPC163635
0.733 Intermediate Similarity NPC125570
0.7326 Intermediate Similarity NPC237044
0.7322 Intermediate Similarity NPC124657
0.7322 Intermediate Similarity NPC13916
0.7322 Intermediate Similarity NPC264850
0.7322 Intermediate Similarity NPC329717
0.7322 Intermediate Similarity NPC474858
0.7321 Intermediate Similarity NPC67247
0.7321 Intermediate Similarity NPC475349
0.7321 Intermediate Similarity NPC475442
0.7321 Intermediate Similarity NPC475565
0.7321 Intermediate Similarity NPC475292
0.7316 Intermediate Similarity NPC474746
0.7316 Intermediate Similarity NPC475981
0.731 Intermediate Similarity NPC289690
0.731 Intermediate Similarity NPC288452
0.7303 Intermediate Similarity NPC476434
0.7302 Intermediate Similarity NPC286119
0.7299 Intermediate Similarity NPC235195
0.7299 Intermediate Similarity NPC280717
0.7299 Intermediate Similarity NPC19862
0.7299 Intermediate Similarity NPC271607
0.7297 Intermediate Similarity NPC476751
0.7297 Intermediate Similarity NPC109925
0.7297 Intermediate Similarity NPC200726
0.7293 Intermediate Similarity NPC187205
0.7288 Intermediate Similarity NPC229882
0.7288 Intermediate Similarity NPC158635
0.7282 Intermediate Similarity NPC33256
0.7278 Intermediate Similarity NPC131532
0.7278 Intermediate Similarity NPC475484
0.7273 Intermediate Similarity NPC304675
0.7273 Intermediate Similarity NPC103379
0.7273 Intermediate Similarity NPC477565
0.7273 Intermediate Similarity NPC116229
0.7268 Intermediate Similarity NPC24465
0.7268 Intermediate Similarity NPC109061
0.7264 Intermediate Similarity NPC79130
0.7263 Intermediate Similarity NPC182052
0.7263 Intermediate Similarity NPC49075
0.7263 Intermediate Similarity NPC223690
0.7263 Intermediate Similarity NPC90998
0.7263 Intermediate Similarity NPC217748
0.7263 Intermediate Similarity NPC473236
0.7263 Intermediate Similarity NPC328155
0.7263 Intermediate Similarity NPC290005
0.7263 Intermediate Similarity NPC7715
0.7263 Intermediate Similarity NPC42663
0.7263 Intermediate Similarity NPC222661
0.7263 Intermediate Similarity NPC104196
0.7263 Intermediate Similarity NPC239824
0.7263 Intermediate Similarity NPC290582
0.7263 Intermediate Similarity NPC54654
0.7263 Intermediate Similarity NPC181796
0.7263 Intermediate Similarity NPC206061
0.7263 Intermediate Similarity NPC229373
0.7263 Intermediate Similarity NPC15414
0.7263 Intermediate Similarity NPC279228
0.7263 Intermediate Similarity NPC311973
0.7263 Intermediate Similarity NPC285931
0.7263 Intermediate Similarity NPC271013
0.7263 Intermediate Similarity NPC138083
0.7263 Intermediate Similarity NPC251735
0.7263 Intermediate Similarity NPC258657
0.7263 Intermediate Similarity NPC8836
0.7263 Intermediate Similarity NPC185639
0.7262 Intermediate Similarity NPC475468
0.7259 Intermediate Similarity NPC207239
0.7258 Intermediate Similarity NPC475215
0.7258 Intermediate Similarity NPC227683
0.7258 Intermediate Similarity NPC108434
0.7258 Intermediate Similarity NPC208818
0.7253 Intermediate Similarity NPC60186
0.7247 Intermediate Similarity NPC178048
0.7247 Intermediate Similarity NPC82285
0.7247 Intermediate Similarity NPC133011
0.7245 Intermediate Similarity NPC279665
0.7243 Intermediate Similarity NPC66573
0.7241 Intermediate Similarity NPC185838
0.7238 Intermediate Similarity NPC165483
0.7238 Intermediate Similarity NPC478248
0.7236 Intermediate Similarity NPC244191
0.7234 Intermediate Similarity NPC32064

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC229234 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
0.7826 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7486 Intermediate Similarity NPD7833 Phase 2
0.7486 Intermediate Similarity NPD7831 Phase 2
0.7486 Intermediate Similarity NPD7832 Clinical (unspecified phase)
0.7462 Intermediate Similarity NPD7497 Discontinued
0.744 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.744 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.7435 Intermediate Similarity NPD2488 Approved
0.7435 Intermediate Similarity NPD2490 Approved
0.7405 Intermediate Similarity NPD5312 Approved
0.7405 Intermediate Similarity NPD5313 Approved
0.7401 Intermediate Similarity NPD6385 Approved
0.7401 Intermediate Similarity NPD7109 Clinical (unspecified phase)
0.7401 Intermediate Similarity NPD7110 Phase 1
0.7401 Intermediate Similarity NPD6386 Approved
0.738 Intermediate Similarity NPD7685 Pre-registration
0.7371 Intermediate Similarity NPD7667 Clinical (unspecified phase)
0.7363 Intermediate Similarity NPD6107 Approved
0.736 Intermediate Similarity NPD7945 Clinical (unspecified phase)
0.7345 Intermediate Similarity NPD6876 Approved
0.7345 Intermediate Similarity NPD6875 Approved
0.7278 Intermediate Similarity NPD5978 Approved
0.7278 Intermediate Similarity NPD5977 Approved
0.7273 Intermediate Similarity NPD3641 Approved
0.7273 Intermediate Similarity NPD3639 Approved
0.7273 Intermediate Similarity NPD3640 Phase 3
0.7263 Intermediate Similarity NPD6853 Approved
0.7263 Intermediate Similarity NPD8054 Approved
0.7263 Intermediate Similarity NPD6851 Approved
0.7263 Intermediate Similarity NPD8053 Approved
0.7259 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7257 Intermediate Similarity NPD1754 Clinical (unspecified phase)
0.7243 Intermediate Similarity NPD27 Approved
0.7243 Intermediate Similarity NPD2489 Approved
0.7243 Intermediate Similarity NPD4481 Phase 3
0.7228 Intermediate Similarity NPD7315 Approved
0.7225 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7225 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7225 Intermediate Similarity NPD4110 Phase 3
0.7222 Intermediate Similarity NPD6818 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD7280 Phase 3
0.7211 Intermediate Similarity NPD3534 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD7281 Phase 3
0.7207 Intermediate Similarity NPD6873 Phase 2
0.7189 Intermediate Similarity NPD2970 Approved
0.7189 Intermediate Similarity NPD2969 Approved
0.7186 Intermediate Similarity NPD5718 Phase 2
0.7186 Intermediate Similarity NPD2494 Approved
0.7186 Intermediate Similarity NPD2493 Approved
0.7175 Intermediate Similarity NPD6662 Clinical (unspecified phase)
0.7166 Intermediate Similarity NPD7228 Approved
0.7164 Intermediate Similarity NPD4582 Approved
0.7164 Intermediate Similarity NPD4583 Approved
0.7158 Intermediate Similarity NPD6315 Phase 2
0.715 Intermediate Similarity NPD7906 Approved
0.7143 Intermediate Similarity NPD6783 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD6667 Approved
0.7143 Intermediate Similarity NPD6666 Approved
0.7143 Intermediate Similarity NPD6297 Approved
0.7135 Intermediate Similarity NPD4210 Discontinued
0.7135 Intermediate Similarity NPD3051 Approved
0.7128 Intermediate Similarity NPD7296 Approved
0.712 Intermediate Similarity NPD7313 Approved
0.712 Intermediate Similarity NPD2971 Approved
0.712 Intermediate Similarity NPD2968 Approved
0.712 Intermediate Similarity NPD7310 Approved
0.712 Intermediate Similarity NPD7312 Approved
0.712 Intermediate Similarity NPD7311 Approved
0.7114 Intermediate Similarity NPD4002 Approved
0.7114 Intermediate Similarity NPD4004 Approved
0.7111 Intermediate Similarity NPD4773 Phase 2
0.7111 Intermediate Similarity NPD4772 Phase 2
0.7105 Intermediate Similarity NPD7039 Approved
0.7105 Intermediate Similarity NPD7038 Approved
0.71 Intermediate Similarity NPD3450 Approved
0.71 Intermediate Similarity NPD3452 Approved
0.7098 Intermediate Similarity NPD4663 Approved
0.7083 Intermediate Similarity NPD7309 Approved
0.7081 Intermediate Similarity NPD7199 Phase 2
0.7081 Intermediate Similarity NPD8127 Discontinued
0.7079 Intermediate Similarity NPD7427 Discontinued
0.7076 Intermediate Similarity NPD6895 Approved
0.7076 Intermediate Similarity NPD6896 Approved
0.7074 Intermediate Similarity NPD6620 Discovery
0.7069 Intermediate Similarity NPD3060 Approved
0.7069 Intermediate Similarity NPD5177 Phase 3
0.7068 Intermediate Similarity NPD7549 Discontinued
0.7068 Intermediate Similarity NPD7132 Clinical (unspecified phase)
0.7066 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7065 Intermediate Similarity NPD6234 Discontinued
0.7065 Intermediate Similarity NPD8245 Clinical (unspecified phase)
0.7062 Intermediate Similarity NPD4584 Approved
0.7059 Intermediate Similarity NPD2898 Approved
0.705 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7043 Intermediate Similarity NPD6071 Discontinued
0.7039 Intermediate Similarity NPD3686 Approved
0.7039 Intermediate Similarity NPD3687 Approved
0.7011 Intermediate Similarity NPD4664 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7005 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7005 Intermediate Similarity NPD7827 Phase 1
0.6995 Remote Similarity NPD5353 Approved
0.6995 Remote Similarity NPD4040 Phase 1
0.6989 Remote Similarity NPD7910 Clinical (unspecified phase)
0.6989 Remote Similarity NPD5241 Discontinued
0.6985 Remote Similarity NPD2975 Approved
0.6985 Remote Similarity NPD2973 Approved
0.6985 Remote Similarity NPD2974 Approved
0.6983 Remote Similarity NPD2122 Discontinued
0.6978 Remote Similarity NPD7577 Discontinued
0.6978 Remote Similarity NPD7298 Approved
0.6971 Remote Similarity NPD4236 Phase 3
0.6971 Remote Similarity NPD4237 Approved
0.6965 Remote Similarity NPD4580 Approved
0.6959 Remote Similarity NPD6355 Discontinued
0.6952 Remote Similarity NPD7608 Discontinued
0.695 Remote Similarity NPD4420 Approved
0.6949 Remote Similarity NPD7124 Phase 2
0.6947 Remote Similarity NPD8156 Discontinued
0.6943 Remote Similarity NPD4577 Approved
0.6943 Remote Similarity NPD4578 Approved
0.694 Remote Similarity NPD2977 Approved
0.694 Remote Similarity NPD2978 Approved
0.6939 Remote Similarity NPD7235 Clinical (unspecified phase)
0.6939 Remote Similarity NPD6377 Clinical (unspecified phase)
0.6932 Remote Similarity NPD6331 Phase 2
0.6928 Remote Similarity NPD7258 Clinical (unspecified phase)
0.6907 Remote Similarity NPD6618 Phase 2
0.6906 Remote Similarity NPD3455 Phase 2
0.6906 Remote Similarity NPD824 Approved
0.6901 Remote Similarity NPD5120 Approved
0.6901 Remote Similarity NPD5119 Approved
0.6901 Remote Similarity NPD5121 Approved
0.6897 Remote Similarity NPD2161 Phase 2
0.6895 Remote Similarity NPD8251 Approved
0.6895 Remote Similarity NPD8099 Discontinued
0.6895 Remote Similarity NPD8252 Approved
0.6875 Remote Similarity NPD4162 Approved
0.6872 Remote Similarity NPD3688 Clinical (unspecified phase)
0.6872 Remote Similarity NPD3146 Approved
0.6865 Remote Similarity NPD4966 Approved
0.6865 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6865 Remote Similarity NPD4965 Approved
0.6865 Remote Similarity NPD4967 Phase 2
0.6848 Remote Similarity NPD5772 Approved
0.6848 Remote Similarity NPD5773 Approved
0.6842 Remote Similarity NPD6663 Approved
0.6831 Remote Similarity NPD6677 Suspended
0.6828 Remote Similarity NPD8005 Clinical (unspecified phase)
0.6825 Remote Similarity NPD5242 Approved
0.6825 Remote Similarity NPD7047 Phase 3
0.6821 Remote Similarity NPD2653 Approved
0.6821 Remote Similarity NPD4579 Clinical (unspecified phase)
0.6818 Remote Similarity NPD5525 Clinical (unspecified phase)
0.6814 Remote Similarity NPD5005 Approved
0.6814 Remote Similarity NPD5006 Approved
0.6814 Remote Similarity NPD3057 Approved
0.6814 Remote Similarity NPD2491 Approved
0.6811 Remote Similarity NPD2563 Approved
0.6811 Remote Similarity NPD2560 Approved
0.6802 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6802 Remote Similarity NPD3620 Phase 2
0.68 Remote Similarity NPD4477 Approved
0.68 Remote Similarity NPD4476 Approved
0.68 Remote Similarity NPD6032 Approved
0.6798 Remote Similarity NPD4107 Approved
0.6798 Remote Similarity NPD5084 Clinical (unspecified phase)
0.6794 Remote Similarity NPD5676 Approved
0.6793 Remote Similarity NPD37 Approved
0.678 Remote Similarity NPD2976 Clinical (unspecified phase)
0.6777 Remote Similarity NPD7930 Approved
0.6776 Remote Similarity NPD1337 Clinical (unspecified phase)
0.6776 Remote Similarity NPD7028 Phase 2
0.6772 Remote Similarity NPD4010 Discontinued
0.6761 Remote Similarity NPD7266 Discontinued
0.6759 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6755 Remote Similarity NPD5677 Discontinued
0.6753 Remote Similarity NPD7240 Approved
0.6742 Remote Similarity NPD8166 Discontinued
0.6737 Remote Similarity NPD8051 Clinical (unspecified phase)
0.6736 Remote Similarity NPD7074 Phase 3
0.6732 Remote Similarity NPD3533 Approved
0.6732 Remote Similarity NPD3448 Approved
0.6732 Remote Similarity NPD2972 Approved
0.6725 Remote Similarity NPD2669 Clinical (unspecified phase)
0.6724 Remote Similarity NPD6653 Approved
0.6723 Remote Similarity NPD7596 Clinical (unspecified phase)
0.6721 Remote Similarity NPD7261 Clinical (unspecified phase)
0.6721 Remote Similarity NPD8158 Clinical (unspecified phase)
0.6719 Remote Similarity NPD7177 Discontinued
0.6718 Remote Similarity NPD3936 Clinical (unspecified phase)
0.6718 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6717 Remote Similarity NPD7291 Discontinued
0.6715 Remote Similarity NPD7999 Approved
0.6713 Remote Similarity NPD6997 Phase 2
0.6705 Remote Similarity NPD2238 Phase 2
0.6703 Remote Similarity NPD6031 Approved
0.6703 Remote Similarity NPD7248 Discontinued
0.6703 Remote Similarity NPD1934 Approved
0.6703 Remote Similarity NPD6844 Discontinued

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL505819
ZINC  

Physicochemical Properties

Molecular Weight:  718.42
ALogP:  -1.7606
MLogP:  4.98
XLogP:  4.866
# Rotatable Bonds:  20
Polar Surface Area:  118
# H-Bond Aceptor:  6
# H-Bond Donor:  2
# Rings:  7
# Heavy Atoms:  52

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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