Natural Product: NPC295204

Natural Product ID:  NPC295204
Common Name:   [(3Ar,4S,6Z,9E,11S,11Ar)-11-Hydroxy-6,10-Dimethyl-3-Methylidene-2,8-Dioxo-4,5,11,11A-Tetrahydro-3Ah-Cyclodeca[B]Furan-4-Yl] (E)-2-Methylbut-2-Enoate
IUPAC Name:   [(3aR,4S,6Z,9E,11S,11aR)-11-hydroxy-6,10-dimethyl-3-methylidene-2,8-dioxo-4,5,11,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate
Synonyms:  
Molecular Formula:   C20H24O6
Standard InCHIKey:  VUURQISRHJCAJY-HVQYRQBMSA-N
Standard InCHI:  InChI=1S/C20H24O6/c1-6-11(3)19(23)25-15-8-10(2)7-14(21)9-12(4)17(22)18-16(15)13(5)20(24)26-18/h6-7,9,15-18,22H,5,8H2,1-4H3/b10-7-,11-6+,12-9+/t15-,16+,17-,18+/m0/s1
Canonical SMILES:  C/C=C(/C(=O)O[C@H]1C/C(=CC(=O)/C=C(/[C@@H]([C@H]2[C@@H]1C(=C)C(=O)O2)O)C)/C)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
NPO4240 Elephantopus mollis Species Asteraceae Eukaryota HerDing*
NPO4240 Elephantopus mollis Species Asteraceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1197 Individual Protein Huntingtin Homo sapiens Potency = 5623.4 nM PubChem BioAssay data set
NPT536 Uncleic Acid microRNA 21 Homo sapiens Potency = 4645.1 nM PubChem BioAssay data set
NPT537 Individual Protein Ras-related protein Rab-9A Homo sapiens Potency = 3162.3 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 3162.3 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 11220.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 29092.9 nM PubChem BioAssay data set
NPT3 Individual Protein Thioredoxin glutathione reductase Schistosoma mansoni Potency = 5623.4 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 12589.3 nM PubChem BioAssay data set
NPT538 Individual Protein Niemann-Pick C1 protein Homo sapiens Potency = 3981.1 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 7079.5 nM PubChem BioAssay data set
NPT2 Others Unspecified CC50 = 4260 nM PubChem BioAssay data set
NPT2 Others Unspecified IC90 = 25230 nM PubChem BioAssay data set
NPT1282 Individual Protein Microphthalmia-associated transcription factor Homo sapiens AC50 = 7072 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 23109.3 nM PubChem BioAssay data set
NPT226 Individual Protein Beta-2 adrenergic receptor Homo sapiens Potency 631 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 20596.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 891.3 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 31622.8 nM PubChem BioAssay data set
NPT1282 Individual Protein Microphthalmia-associated transcription factor Homo sapiens AC50 = 6407 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 29081 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 56234.1 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 11689.1 nM PubChem BioAssay data set
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 100000 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 17782.8 nM PubChem BioAssay data set
NPT8 Individual Protein DNA polymerase iota Homo sapiens Potency 14125.4 nM PubChem BioAssay data set
NPT9 Individual Protein DNA polymerase eta Homo sapiens Potency 25118.9 nM PubChem BioAssay data set
NPT65 Cell Line HepG2 Homo sapiens Potency 11220.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1000 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 10417.9 nM PubChem BioAssay data set
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 7079.5 nM PubChem BioAssay data set
NPT477 Individual Protein DNA dC->dU-editing enzyme APOBEC-3G Homo sapiens Potency 3162.3 nM PubChem BioAssay data set
NPT2971 Individual Protein DNA dC->dU-editing enzyme APOBEC-3F Homo sapiens Potency 3144.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 14125.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11220.2 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 730.8 nM PubChem BioAssay data set
NPT478 Individual Protein Ataxin-2 Homo sapiens Potency 10000 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 3162.3 nM PubChem BioAssay data set
NPT477 Individual Protein DNA dC->dU-editing enzyme APOBEC-3G Homo sapiens Potency 15757.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2059.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 14581 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1458.1 nM PubChem BioAssay data set
NPT1283 Individual Protein Paired box protein Pax-8 Homo sapiens AC50 = 4030 nM PubChem BioAssay data set
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Potency 20596.2 nM PubChem BioAssay data set
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 354.8 nM PubChem BioAssay data set
NPT535 Individual Protein Parathyroid hormone receptor Homo sapiens Potency 5011.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 28183.8 nM PubChem BioAssay data set

  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 NPC295204 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 NPC162205
1.0 High Similarity NPC288240
1.0 High Similarity NPC273579
0.9655 High Similarity NPC473321
0.954 High Similarity NPC473619
0.931 High Similarity NPC473715
0.9231 High Similarity NPC477921
0.9205 High Similarity NPC474032
0.9186 High Similarity NPC21469
0.9121 High Similarity NPC471142
0.9121 High Similarity NPC477922
0.9111 High Similarity NPC475912
0.9011 High Similarity NPC303942
0.9011 High Similarity NPC57405
0.8953 High Similarity NPC40746
0.8953 High Similarity NPC169575
0.8936 High Similarity NPC288876
0.8913 High Similarity NPC14961
0.8913 High Similarity NPC270013
0.8913 High Similarity NPC36954
0.8889 High Similarity NPC474232
0.8864 High Similarity NPC475461
0.8864 High Similarity NPC469910
0.8864 High Similarity NPC305475
0.8851 High Similarity NPC141193
0.8851 High Similarity NPC96259
0.883 High Similarity NPC471144
0.883 High Similarity NPC473326
0.8817 High Similarity NPC473859
0.8817 High Similarity NPC279621
0.8804 High Similarity NPC474035
0.8804 High Similarity NPC81386
0.8791 High Similarity NPC184463
0.8791 High Similarity NPC30515
0.875 High Similarity NPC470755
0.875 High Similarity NPC149371
0.875 High Similarity NPC255307
0.8736 High Similarity NPC116543
0.8736 High Similarity NPC473390
0.8736 High Similarity NPC131669
0.8721 High Similarity NPC24417
0.871 High Similarity NPC475659
0.8696 High Similarity NPC81419
0.8696 High Similarity NPC179746
0.8696 High Similarity NPC212486
0.8696 High Similarity NPC476300
0.8696 High Similarity NPC125674
0.8696 High Similarity NPC228451
0.8696 High Similarity NPC475838
0.8681 High Similarity NPC474761
0.8681 High Similarity NPC51004
0.8681 High Similarity NPC144133
0.8681 High Similarity NPC179394
0.8681 High Similarity NPC476004
0.8681 High Similarity NPC475855
0.8667 High Similarity NPC202672
0.8667 High Similarity NPC476803
0.8667 High Similarity NPC475819
0.8652 High Similarity NPC112685
0.8646 High Similarity NPC47880
0.8636 High Similarity NPC191476
0.8636 High Similarity NPC114979
0.8636 High Similarity NPC476804
0.8636 High Similarity NPC158756
0.8632 High Similarity NPC474213
0.8621 High Similarity NPC229825
0.8617 High Similarity NPC476315
0.8602 High Similarity NPC474247
0.8587 High Similarity NPC12172
0.8587 High Similarity NPC208886
0.8571 High Similarity NPC295312
0.8571 High Similarity NPC280612
0.8571 High Similarity NPC307411
0.8571 High Similarity NPC100487
0.8542 High Similarity NPC475949
0.8523 High Similarity NPC59097
0.8511 High Similarity NPC471141
0.8495 Intermediate Similarity NPC469645
0.8495 Intermediate Similarity NPC11456
0.8495 Intermediate Similarity NPC469692
0.8488 Intermediate Similarity NPC167881
0.8488 Intermediate Similarity NPC270126
0.8488 Intermediate Similarity NPC98557
0.8469 Intermediate Similarity NPC475871
0.8469 Intermediate Similarity NPC472755
0.8469 Intermediate Similarity NPC475945
0.8462 Intermediate Similarity NPC476805
0.8454 Intermediate Similarity NPC133907
0.8454 Intermediate Similarity NPC476270
0.8454 Intermediate Similarity NPC185141
0.8454 Intermediate Similarity NPC164598
0.8454 Intermediate Similarity NPC110443
0.8454 Intermediate Similarity NPC474339
0.8454 Intermediate Similarity NPC46998
0.8454 Intermediate Similarity NPC128733
0.8444 Intermediate Similarity NPC308412
0.8444 Intermediate Similarity NPC134885
0.8444 Intermediate Similarity NPC134807
0.8444 Intermediate Similarity NPC210218
0.8444 Intermediate Similarity NPC204686
0.8444 Intermediate Similarity NPC219498
0.8444 Intermediate Similarity NPC473687
0.8444 Intermediate Similarity NPC150755
0.8438 Intermediate Similarity NPC187268
0.8421 Intermediate Similarity NPC230800
0.8421 Intermediate Similarity NPC306041
0.8404 Intermediate Similarity NPC473316
0.8404 Intermediate Similarity NPC121825
0.8404 Intermediate Similarity NPC473330
0.84 Intermediate Similarity NPC477513
0.8384 Intermediate Similarity NPC203659
0.8372 Intermediate Similarity NPC108816
0.8372 Intermediate Similarity NPC196653
0.8372 Intermediate Similarity NPC471465
0.8372 Intermediate Similarity NPC93763
0.837 Intermediate Similarity NPC477011
0.837 Intermediate Similarity NPC166919
0.837 Intermediate Similarity NPC477016
0.837 Intermediate Similarity NPC477017
0.837 Intermediate Similarity NPC151770
0.8367 Intermediate Similarity NPC324017
0.8367 Intermediate Similarity NPC320019
0.8367 Intermediate Similarity NPC474747
0.8352 Intermediate Similarity NPC178215
0.8352 Intermediate Similarity NPC179659
0.8333 Intermediate Similarity NPC132496
0.8333 Intermediate Similarity NPC286338
0.8333 Intermediate Similarity NPC231009
0.8333 Intermediate Similarity NPC110710
0.8333 Intermediate Similarity NPC473651
0.8333 Intermediate Similarity NPC283085
0.8333 Intermediate Similarity NPC473478
0.8333 Intermediate Similarity NPC473669
0.8333 Intermediate Similarity NPC103284
0.8333 Intermediate Similarity NPC165162
0.8333 Intermediate Similarity NPC223871
0.8333 Intermediate Similarity NPC82795
0.8333 Intermediate Similarity NPC66346
0.8333 Intermediate Similarity NPC1083
0.8333 Intermediate Similarity NPC107986
0.83 Intermediate Similarity NPC243998
0.8298 Intermediate Similarity NPC475302
0.8295 Intermediate Similarity NPC52861
0.8283 Intermediate Similarity NPC110989
0.828 Intermediate Similarity NPC251385
0.828 Intermediate Similarity NPC106510
0.828 Intermediate Similarity NPC473448
0.828 Intermediate Similarity NPC71533
0.828 Intermediate Similarity NPC469368
0.828 Intermediate Similarity NPC49342
0.828 Intermediate Similarity NPC129419
0.8265 Intermediate Similarity NPC201718
0.8265 Intermediate Similarity NPC15993
0.8265 Intermediate Similarity NPC474742
0.8265 Intermediate Similarity NPC472753
0.8261 Intermediate Similarity NPC21208
0.8261 Intermediate Similarity NPC280621
0.8261 Intermediate Similarity NPC20339
0.8261 Intermediate Similarity NPC48338
0.8261 Intermediate Similarity NPC89001
0.8261 Intermediate Similarity NPC153805
0.8261 Intermediate Similarity NPC40376
0.8261 Intermediate Similarity NPC233551
0.8256 Intermediate Similarity NPC141789
0.8256 Intermediate Similarity NPC171204
0.8256 Intermediate Similarity NPC320630
0.8256 Intermediate Similarity NPC116177
0.8256 Intermediate Similarity NPC7563
0.8256 Intermediate Similarity NPC476028
0.8242 Intermediate Similarity NPC279267
0.8242 Intermediate Similarity NPC103523
0.8242 Intermediate Similarity NPC475581
0.8242 Intermediate Similarity NPC62118
0.8242 Intermediate Similarity NPC171174
0.8242 Intermediate Similarity NPC69082
0.8242 Intermediate Similarity NPC142117
0.8242 Intermediate Similarity NPC114694
0.8242 Intermediate Similarity NPC232555
0.8242 Intermediate Similarity NPC134865
0.8242 Intermediate Similarity NPC107717
0.8242 Intermediate Similarity NPC240695
0.8242 Intermediate Similarity NPC477015
0.8242 Intermediate Similarity NPC477010
0.8242 Intermediate Similarity NPC231096
0.8222 Intermediate Similarity NPC243618
0.8222 Intermediate Similarity NPC163093
0.8222 Intermediate Similarity NPC70424
0.8211 Intermediate Similarity NPC71589
0.8211 Intermediate Similarity NPC471147
0.8211 Intermediate Similarity NPC190294
0.82 Intermediate Similarity NPC474741
0.8182 Intermediate Similarity NPC470947
0.8182 Intermediate Similarity NPC281132
0.8182 Intermediate Similarity NPC86077
0.8182 Intermediate Similarity NPC470945
0.8182 Intermediate Similarity NPC471148
0.8182 Intermediate Similarity NPC470946
0.8182 Intermediate Similarity NPC472754
0.8182 Intermediate Similarity NPC225353
0.8172 Intermediate Similarity NPC14901

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC295204 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
0.8132 Intermediate Similarity NPD1733 Clinical (unspecified phase)
0.8085 Intermediate Similarity NPD6698 Approved
0.8085 Intermediate Similarity NPD46 Approved
0.7812 Intermediate Similarity NPD7983 Approved
0.7755 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7642 Intermediate Similarity NPD6371 Approved
0.7526 Intermediate Similarity NPD7838 Discovery
0.7524 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD4225 Approved
0.7347 Intermediate Similarity NPD5785 Approved
0.7188 Intermediate Similarity NPD5363 Approved
0.7184 Intermediate Similarity NPD8029 Clinical (unspecified phase)
0.7158 Intermediate Similarity NPD7154 Phase 3
0.713 Intermediate Similarity NPD6686 Approved
0.7113 Intermediate Similarity NPD5786 Approved
0.7113 Intermediate Similarity NPD4249 Approved
0.7091 Intermediate Similarity NPD8413 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD6435 Approved
0.7041 Intermediate Similarity NPD4250 Approved
0.7041 Intermediate Similarity NPD4251 Approved
0.703 Intermediate Similarity NPD5779 Approved
0.703 Intermediate Similarity NPD5778 Approved
0.7021 Intermediate Similarity NPD5790 Clinical (unspecified phase)
0.69 Remote Similarity NPD1695 Approved
0.6887 Remote Similarity NPD5344 Discontinued
0.6875 Remote Similarity NPD4270 Approved
0.6875 Remote Similarity NPD4269 Approved
0.6842 Remote Similarity NPD5368 Approved
0.6842 Remote Similarity NPD4252 Approved
0.6838 Remote Similarity NPD8517 Approved
0.6838 Remote Similarity NPD8515 Approved
0.6838 Remote Similarity NPD8516 Approved
0.6838 Remote Similarity NPD8513 Phase 3
0.6827 Remote Similarity NPD7839 Suspended
0.6809 Remote Similarity NPD4268 Approved
0.6809 Remote Similarity NPD4271 Approved
0.6804 Remote Similarity NPD5362 Discontinued
0.6804 Remote Similarity NPD6110 Phase 1
0.6783 Remote Similarity NPD7115 Discovery
0.6726 Remote Similarity NPD6053 Discontinued
0.6667 Remote Similarity NPD4821 Approved
0.6667 Remote Similarity NPD4819 Approved
0.6667 Remote Similarity NPD1694 Approved
0.6667 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4820 Approved
0.6667 Remote Similarity NPD4822 Approved
0.6635 Remote Similarity NPD5282 Discontinued
0.6632 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6598 Remote Similarity NPD5369 Approved
0.6583 Remote Similarity NPD7642 Approved
0.6581 Remote Similarity NPD7641 Discontinued
0.6557 Remote Similarity NPD8074 Phase 3
0.6531 Remote Similarity NPD5209 Approved
0.6531 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6526 Remote Similarity NPD4756 Discovery
0.6481 Remote Similarity NPD6648 Approved
0.6481 Remote Similarity NPD7639 Approved
0.6481 Remote Similarity NPD7640 Approved
0.646 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6446 Remote Similarity NPD7829 Approved
0.6446 Remote Similarity NPD7830 Approved
0.6444 Remote Similarity NPD4247 Clinical (unspecified phase)
0.6408 Remote Similarity NPD6101 Approved
0.6408 Remote Similarity NPD5370 Suspended
0.6408 Remote Similarity NPD5764 Clinical (unspecified phase)
0.64 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6389 Remote Similarity NPD7638 Approved
0.6379 Remote Similarity NPD4632 Approved
0.6341 Remote Similarity NPD7507 Approved
0.6333 Remote Similarity NPD6319 Approved
0.63 Remote Similarity NPD5331 Approved
0.63 Remote Similarity NPD5332 Approved
0.6293 Remote Similarity NPD8297 Approved
0.6286 Remote Similarity NPD6411 Approved
0.6286 Remote Similarity NPD7637 Suspended
0.6286 Remote Similarity NPD4810 Clinical (unspecified phase)
0.6283 Remote Similarity NPD6412 Phase 2
0.6283 Remote Similarity NPD5697 Approved
0.6281 Remote Similarity NPD8444 Approved
0.6263 Remote Similarity NPD4790 Discontinued
0.6261 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6231 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6228 Remote Similarity NPD6881 Approved
0.6228 Remote Similarity NPD6899 Approved
0.6228 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6226 Remote Similarity NPD6399 Phase 3
0.6222 Remote Similarity NPD2685 Clinical (unspecified phase)
0.622 Remote Similarity NPD7260 Phase 2
0.6207 Remote Similarity NPD6649 Approved
0.6207 Remote Similarity NPD7116 Clinical (unspecified phase)
0.6207 Remote Similarity NPD6650 Approved
0.6195 Remote Similarity NPD6675 Approved
0.6195 Remote Similarity NPD7128 Approved
0.6195 Remote Similarity NPD6008 Approved
0.6195 Remote Similarity NPD5739 Approved
0.6195 Remote Similarity NPD6402 Approved
0.619 Remote Similarity NPD7319 Approved
0.6174 Remote Similarity NPD6013 Approved
0.6174 Remote Similarity NPD6012 Approved
0.6174 Remote Similarity NPD6014 Approved
0.6174 Remote Similarity NPD6373 Approved
0.6174 Remote Similarity NPD6372 Approved
0.6154 Remote Similarity NPD7331 Phase 2
0.614 Remote Similarity NPD5701 Approved
0.6129 Remote Similarity NPD7492 Approved
0.6121 Remote Similarity NPD6883 Approved
0.6121 Remote Similarity NPD7102 Approved
0.6121 Remote Similarity NPD6421 Discontinued
0.6121 Remote Similarity NPD7290 Approved
0.6117 Remote Similarity NPD6422 Discontinued
0.6111 Remote Similarity NPD3197 Phase 1
0.6087 Remote Similarity NPD6011 Approved
0.6087 Remote Similarity NPD7320 Approved
0.6083 Remote Similarity NPD7500 Approved
0.6083 Remote Similarity NPD6009 Approved
0.608 Remote Similarity NPD6616 Approved
0.608 Remote Similarity NPD8451 Approved
0.6071 Remote Similarity NPD5211 Phase 2
0.6068 Remote Similarity NPD6869 Approved
0.6068 Remote Similarity NPD8130 Phase 1
0.6068 Remote Similarity NPD6847 Approved
0.6068 Remote Similarity NPD2204 Approved
0.6068 Remote Similarity NPD6617 Approved
0.6066 Remote Similarity NPD6054 Approved
0.6055 Remote Similarity NPD4792 Clinical (unspecified phase)
0.6048 Remote Similarity NPD8328 Phase 3
0.6047 Remote Similarity NPD6845 Suspended
0.604 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6032 Remote Similarity NPD7078 Approved
0.6032 Remote Similarity NPD8448 Approved
0.6018 Remote Similarity NPD6647 Phase 2
0.6017 Remote Similarity NPD6882 Approved
0.6016 Remote Similarity NPD6015 Approved
0.6016 Remote Similarity NPD6016 Approved
0.6016 Remote Similarity NPD5983 Phase 2
0.6 Remote Similarity NPD8341 Approved
0.6 Remote Similarity NPD8342 Approved
0.6 Remote Similarity NPD6084 Phase 2
0.6 Remote Similarity NPD8299 Approved
0.6 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6 Remote Similarity NPD8340 Approved
0.6 Remote Similarity NPD7902 Approved
0.6 Remote Similarity NPD6083 Phase 2
0.5984 Remote Similarity NPD7736 Approved
0.5983 Remote Similarity NPD4634 Approved
0.5979 Remote Similarity NPD8039 Approved
0.5968 Remote Similarity NPD5988 Approved
0.5968 Remote Similarity NPD6370 Approved
0.5965 Remote Similarity NPD5141 Approved
0.5963 Remote Similarity NPD5695 Phase 3
0.5952 Remote Similarity NPD8273 Phase 1
0.5946 Remote Similarity NPD5696 Approved
0.5935 Remote Similarity NPD6059 Approved
0.5929 Remote Similarity NPD7632 Discontinued
0.592 Remote Similarity NPD7604 Phase 2
0.5906 Remote Similarity NPD8293 Discontinued
0.5905 Remote Similarity NPD7524 Approved
0.5893 Remote Similarity NPD4696 Approved
0.5893 Remote Similarity NPD5285 Approved
0.5893 Remote Similarity NPD5286 Approved
0.5891 Remote Similarity NPD8392 Approved
0.5891 Remote Similarity NPD8390 Approved
0.5891 Remote Similarity NPD8391 Approved
0.5872 Remote Similarity NPD7748 Approved
0.587 Remote Similarity NPD7341 Phase 2
0.5868 Remote Similarity NPD6274 Approved
0.5856 Remote Similarity NPD4755 Approved
0.5847 Remote Similarity NPD2067 Discontinued
0.584 Remote Similarity NPD8080 Discontinued
0.5833 Remote Similarity NPD7515 Phase 2
0.5833 Remote Similarity NPD6079 Approved
0.5827 Remote Similarity NPD6336 Discontinued
0.5824 Remote Similarity NPD2664 Clinical (unspecified phase)
0.582 Remote Similarity NPD7505 Discontinued
0.581 Remote Similarity NPD7521 Approved
0.581 Remote Similarity NPD5330 Approved
0.581 Remote Similarity NPD6684 Approved
0.581 Remote Similarity NPD7146 Approved
0.581 Remote Similarity NPD6409 Approved
0.581 Remote Similarity NPD7334 Approved
0.581 Remote Similarity NPD3618 Phase 1
0.5806 Remote Similarity NPD3704 Approved
0.5798 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5794 Remote Similarity NPD5328 Approved
0.5789 Remote Similarity NPD5224 Approved
0.5789 Remote Similarity NPD4633 Approved
0.5789 Remote Similarity NPD8387 Clinical (unspecified phase)
0.5789 Remote Similarity NPD5225 Approved
0.5789 Remote Similarity NPD5226 Approved
0.5778 Remote Similarity NPD4246 Clinical (unspecified phase)
0.5772 Remote Similarity NPD7328 Approved
0.5772 Remote Similarity NPD7327 Approved
0.5769 Remote Similarity NPD3133 Approved
0.5769 Remote Similarity NPD3666 Approved
0.5769 Remote Similarity NPD3665 Phase 1
0.5769 Remote Similarity NPD7338 Clinical (unspecified phase)
0.5766 Remote Similarity NPD4697 Phase 3
0.5766 Remote Similarity NPD5221 Approved
0.5766 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5766 Remote Similarity NPD5222 Approved

Structure

External Identifiers

PubChem CID   56642940
ChEMBL   CHEMBL1992486
ZINC  

Physicochemical Properties

Molecular Weight:  360.16
ALogP:  2.1794
MLogP:  3
XLogP:  1.047
# Rotatable Bonds:  8
Polar Surface Area:  89.9
# H-Bond Aceptor:  6
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  26

Download Data

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