Natural Product: NPC316401

Natural Product ID:  NPC316401
Common Name:   [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(3R,7R,8S,9S,10R,12R,14E)-7-Acetyloxy-8-Methoxy-3,12-Dimethyl-5,13-Dioxo-10-(2-Oxoethyl)-4,17-Dioxabicyclo[14.1.0]Heptadec-14-En-9-Yl]Oxy]-4-(Dimethylamino)-5-Hydroxy-2-Methyloxan-3-Yl]Oxy-4-Hydroxy-2,4-Dimethyloxan-3-Yl] 3-Methylbutanoate
IUPAC Name:   [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(3R,7R,8S,9S,10R,12R,14E)-7-acetyloxy-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
Synonyms:  
Molecular Formula:   C42H67NO16
Standard InCHIKey:  FQVHOULQCKDUCY-JXCZFYCESA-N
Standard InCHI:  InChI=1S/C42H67NO16/c1-21(2)16-32(47)57-40-25(6)53-34(20-42(40,8)50)58-37-24(5)54-41(36(49)35(37)43(9)10)59-38-27(14-15-44)17-22(3)28(46)12-13-29-30(56-29)18-23(4)52-33(48)19-31(39(38)51-11)55-26(7)45/h12-13,15,21-25,27,29-31,34-41,49-50H,14,16-20H2,1-11H3/b13-12+/t22-,23-,24-,25+,27+,29?,30?,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1
Canonical SMILES:  O=CC[C@H]1C[C@@H](C)C(=O)/C=C/C2OC2C[C@H](OC(=O)C[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](C)[C@H]([C@@H]([C@H]1O)N(C)C)O[C@@H]1O[C@@H](C)[C@@H]([C@](C1)(C)O)OC(=O)CC(C)C)OC)OC(=O)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
NPO7856.7 Streptomyces halstedii var. deltae ferm p-2504 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO14029 Streptomyces thermotolerans Species Streptomycetaceae Bacteria StreptomeDB*
NPO14029.1 Streptomyces thermotolerans atcc 11416 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO14029.2 Streptomyces thermotolerans th475 Subspecies Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency 3349.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3758.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6682.4 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 6740 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 10590.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 23710.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 26603.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21313.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29849.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 28183.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2683.2 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 26832.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5308 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10682.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15089 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 12589.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11883.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3349.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10000 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 NPC316401 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
0.9417 High Similarity NPC316133
0.9417 High Similarity NPC318445
0.9344 High Similarity NPC314282
0.904 High Similarity NPC315387
0.904 High Similarity NPC316205
0.9024 High Similarity NPC313333
0.9024 High Similarity NPC314512
0.9024 High Similarity NPC313342
0.9024 High Similarity NPC314451
0.8943 High Similarity NPC314629
0.876 High Similarity NPC6531
0.8678 High Similarity NPC30196
0.8583 High Similarity NPC1111
0.8583 High Similarity NPC261750
0.8492 Intermediate Similarity NPC315783
0.843 Intermediate Similarity NPC60432
0.8175 Intermediate Similarity NPC477515
0.8175 Intermediate Similarity NPC313802
0.8175 Intermediate Similarity NPC67917
0.8175 Intermediate Similarity NPC314268
0.7833 Intermediate Similarity NPC227622
0.7769 Intermediate Similarity NPC475383
0.7769 Intermediate Similarity NPC156379
0.7752 Intermediate Similarity NPC241050
0.7724 Intermediate Similarity NPC137453
0.7609 Intermediate Similarity NPC99864
0.7536 Intermediate Similarity NPC120420
0.7462 Intermediate Similarity NPC475642
0.7438 Intermediate Similarity NPC255592
0.7438 Intermediate Similarity NPC187761
0.7438 Intermediate Similarity NPC83895
0.7438 Intermediate Similarity NPC308567
0.7438 Intermediate Similarity NPC261377
0.736 Intermediate Similarity NPC476740
0.736 Intermediate Similarity NPC476738
0.7355 Intermediate Similarity NPC40812
0.7323 Intermediate Similarity NPC313668
0.7323 Intermediate Similarity NPC315836
0.7273 Intermediate Similarity NPC475309
0.7273 Intermediate Similarity NPC120599
0.7273 Intermediate Similarity NPC200412
0.7273 Intermediate Similarity NPC156336
0.7244 Intermediate Similarity NPC193765
0.7239 Intermediate Similarity NPC473228
0.7239 Intermediate Similarity NPC23963
0.7239 Intermediate Similarity NPC470829
0.7211 Intermediate Similarity NPC316249
0.7209 Intermediate Similarity NPC21713
0.7209 Intermediate Similarity NPC475608
0.72 Intermediate Similarity NPC474581
0.72 Intermediate Similarity NPC309398
0.72 Intermediate Similarity NPC473816
0.72 Intermediate Similarity NPC475367
0.7164 Intermediate Similarity NPC48692
0.7152 Intermediate Similarity NPC265699
0.7143 Intermediate Similarity NPC13710
0.7143 Intermediate Similarity NPC201889
0.7143 Intermediate Similarity NPC106791
0.7143 Intermediate Similarity NPC469869
0.712 Intermediate Similarity NPC313569
0.7109 Intermediate Similarity NPC475960
0.7107 Intermediate Similarity NPC71589
0.7105 Intermediate Similarity NPC113620
0.7105 Intermediate Similarity NPC100612
0.7105 Intermediate Similarity NPC174336
0.7105 Intermediate Similarity NPC475599
0.7105 Intermediate Similarity NPC187497
0.7073 Intermediate Similarity NPC266842
0.704 Intermediate Similarity NPC476611
0.7039 Intermediate Similarity NPC475527
0.7025 Intermediate Similarity NPC320089
0.6977 Remote Similarity NPC473807
0.6972 Remote Similarity NPC316915
0.6972 Remote Similarity NPC314361
0.6967 Remote Similarity NPC472198
0.6967 Remote Similarity NPC159698
0.6957 Remote Similarity NPC469494
0.6953 Remote Similarity NPC201128
0.6947 Remote Similarity NPC29501
0.6942 Remote Similarity NPC470379
0.6942 Remote Similarity NPC470373
0.6929 Remote Similarity NPC477793
0.6929 Remote Similarity NPC473620
0.6929 Remote Similarity NPC329919
0.6923 Remote Similarity NPC78189
0.6905 Remote Similarity NPC57586
0.6905 Remote Similarity NPC471637
0.6905 Remote Similarity NPC475157
0.6905 Remote Similarity NPC154132
0.6905 Remote Similarity NPC2313
0.6905 Remote Similarity NPC475655
0.6901 Remote Similarity NPC475139
0.6901 Remote Similarity NPC477195
0.6901 Remote Similarity NPC231240
0.6901 Remote Similarity NPC180902
0.6897 Remote Similarity NPC230889
0.6894 Remote Similarity NPC469865
0.6894 Remote Similarity NPC275100
0.6889 Remote Similarity NPC235625
0.6885 Remote Similarity NPC472195
0.6885 Remote Similarity NPC472196
0.6885 Remote Similarity NPC238090
0.688 Remote Similarity NPC161855
0.6875 Remote Similarity NPC474917
0.6875 Remote Similarity NPC472748
0.6875 Remote Similarity NPC474741
0.6875 Remote Similarity NPC110700
0.6875 Remote Similarity NPC279915
0.687 Remote Similarity NPC83005
0.6861 Remote Similarity NPC469812
0.6861 Remote Similarity NPC183353
0.6861 Remote Similarity NPC170880
0.6857 Remote Similarity NPC42399
0.6857 Remote Similarity NPC204556
0.6857 Remote Similarity NPC298841
0.6855 Remote Similarity NPC476315
0.6853 Remote Similarity NPC476779
0.685 Remote Similarity NPC149371
0.6842 Remote Similarity NPC130124
0.6842 Remote Similarity NPC75167
0.6842 Remote Similarity NPC311592
0.6842 Remote Similarity NPC193471
0.6831 Remote Similarity NPC477197
0.6825 Remote Similarity NPC469871
0.6825 Remote Similarity NPC288876
0.6825 Remote Similarity NPC469870
0.6822 Remote Similarity NPC315070
0.6822 Remote Similarity NPC472749
0.6822 Remote Similarity NPC472751
0.6809 Remote Similarity NPC245094
0.6806 Remote Similarity NPC471136
0.6806 Remote Similarity NPC182266
0.6806 Remote Similarity NPC475154
0.6806 Remote Similarity NPC471137
0.6806 Remote Similarity NPC475500
0.6806 Remote Similarity NPC473548
0.6806 Remote Similarity NPC476778
0.6806 Remote Similarity NPC476777
0.6806 Remote Similarity NPC223356
0.6806 Remote Similarity NPC100017
0.6803 Remote Similarity NPC472197
0.6803 Remote Similarity NPC472199
0.68 Remote Similarity NPC476612
0.68 Remote Similarity NPC476613
0.68 Remote Similarity NPC278506
0.6797 Remote Similarity NPC475871
0.6797 Remote Similarity NPC197736
0.6797 Remote Similarity NPC472750
0.6797 Remote Similarity NPC475945
0.6797 Remote Similarity NPC472747
0.6794 Remote Similarity NPC133625
0.6794 Remote Similarity NPC473578
0.6791 Remote Similarity NPC181145
0.6783 Remote Similarity NPC90814
0.6783 Remote Similarity NPC189393
0.6781 Remote Similarity NPC596
0.6774 Remote Similarity NPC36954
0.6774 Remote Similarity NPC270013
0.6774 Remote Similarity NPC14961
0.6772 Remote Similarity NPC47880
0.6772 Remote Similarity NPC473332
0.6769 Remote Similarity NPC254538
0.6769 Remote Similarity NPC477513
0.6769 Remote Similarity NPC474285
0.6767 Remote Similarity NPC474497
0.6765 Remote Similarity NPC234522
0.6761 Remote Similarity NPC162495
0.6761 Remote Similarity NPC477077
0.6761 Remote Similarity NPC470913
0.6761 Remote Similarity NPC477076
0.6761 Remote Similarity NPC477079
0.6761 Remote Similarity NPC476966
0.6761 Remote Similarity NPC477196
0.6748 Remote Similarity NPC476300
0.6748 Remote Similarity NPC212486
0.6742 Remote Similarity NPC46407
0.6742 Remote Similarity NPC196073
0.6742 Remote Similarity NPC195435
0.6739 Remote Similarity NPC476204
0.6739 Remote Similarity NPC170084
0.6739 Remote Similarity NPC469515
0.6738 Remote Similarity NPC470516
0.6736 Remote Similarity NPC478151
0.6736 Remote Similarity NPC225791
0.6735 Remote Similarity NPC200788
0.6735 Remote Similarity NPC243680
0.6721 Remote Similarity NPC473311
0.672 Remote Similarity NPC306041
0.672 Remote Similarity NPC475164
0.672 Remote Similarity NPC475593
0.672 Remote Similarity NPC473859
0.672 Remote Similarity NPC473765
0.672 Remote Similarity NPC473605
0.672 Remote Similarity NPC476066
0.672 Remote Similarity NPC475241
0.672 Remote Similarity NPC475540
0.672 Remote Similarity NPC475525
0.672 Remote Similarity NPC473291
0.672 Remote Similarity NPC475375
0.6719 Remote Similarity NPC473596

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC316401 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
0.9417 High Similarity NPD7642 Approved
0.9344 High Similarity NPD8448 Approved
0.9262 High Similarity NPD8451 Approved
0.9024 High Similarity NPD8341 Approved
0.9024 High Similarity NPD8340 Approved
0.9024 High Similarity NPD8342 Approved
0.9024 High Similarity NPD8299 Approved
0.8968 High Similarity NPD8392 Approved
0.8968 High Similarity NPD8391 Approved
0.8968 High Similarity NPD8390 Approved
0.8537 High Similarity NPD7641 Discontinued
0.8492 Intermediate Similarity NPD7829 Approved
0.8492 Intermediate Similarity NPD7830 Approved
0.8125 Intermediate Similarity NPD8080 Discontinued
0.8016 Intermediate Similarity NPD8137 Clinical (unspecified phase)
0.7934 Intermediate Similarity NPD8393 Approved
0.7917 Intermediate Similarity NPD8275 Approved
0.7917 Intermediate Similarity NPD8276 Approved
0.7907 Intermediate Similarity NPD8274 Clinical (unspecified phase)
0.7907 Intermediate Similarity NPD8444 Approved
0.7833 Intermediate Similarity NPD8084 Approved
0.7833 Intermediate Similarity NPD8082 Approved
0.7833 Intermediate Similarity NPD8138 Approved
0.7833 Intermediate Similarity NPD8086 Approved
0.7833 Intermediate Similarity NPD8083 Approved
0.7833 Intermediate Similarity NPD8139 Approved
0.7833 Intermediate Similarity NPD8085 Approved
0.7705 Intermediate Similarity NPD8081 Approved
0.7609 Intermediate Similarity NPD8415 Approved
0.7554 Intermediate Similarity NPD8387 Clinical (unspecified phase)
0.7398 Intermediate Similarity NPD8300 Approved
0.7398 Intermediate Similarity NPD8301 Approved
0.7315 Intermediate Similarity NPD8389 Clinical (unspecified phase)
0.7302 Intermediate Similarity NPD8140 Approved
0.7302 Intermediate Similarity NPD8307 Discontinued
0.7299 Intermediate Similarity NPD8337 Approved
0.7299 Intermediate Similarity NPD8336 Approved
0.7279 Intermediate Similarity NPD8273 Phase 1
0.7188 Intermediate Similarity NPD8306 Approved
0.7188 Intermediate Similarity NPD8305 Approved
0.7132 Intermediate Similarity NPD8087 Discontinued
0.7092 Intermediate Similarity NPD8338 Approved
0.7055 Intermediate Similarity NPD8384 Approved
0.688 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6861 Remote Similarity NPD8513 Phase 3
0.6861 Remote Similarity NPD8517 Approved
0.6861 Remote Similarity NPD8515 Approved
0.6861 Remote Similarity NPD8516 Approved
0.686 Remote Similarity NPD46 Approved
0.686 Remote Similarity NPD6698 Approved
0.6857 Remote Similarity NPD8074 Phase 3
0.6788 Remote Similarity NPD8346 Approved
0.6788 Remote Similarity NPD8345 Approved
0.6788 Remote Similarity NPD8347 Approved
0.6739 Remote Similarity NPD6921 Approved
0.6718 Remote Similarity NPD6686 Approved
0.6692 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6585 Remote Similarity NPD7838 Discovery
0.6567 Remote Similarity NPD2204 Approved
0.6532 Remote Similarity NPD7983 Approved
0.6528 Remote Similarity NPD7319 Approved
0.6525 Remote Similarity NPD8328 Phase 3
0.65 Remote Similarity NPD8267 Approved
0.65 Remote Similarity NPD8269 Approved
0.65 Remote Similarity NPD8268 Approved
0.65 Remote Similarity NPD8266 Approved
0.6478 Remote Similarity NPD8414 Discontinued
0.6457 Remote Similarity NPD7839 Suspended
0.6438 Remote Similarity NPD7260 Phase 2
0.6434 Remote Similarity NPD7507 Approved
0.6391 Remote Similarity NPD7899 Clinical (unspecified phase)
0.637 Remote Similarity NPD6421 Discontinued
0.637 Remote Similarity NPD6371 Approved
0.6284 Remote Similarity NPD6845 Suspended
0.6259 Remote Similarity NPD6914 Discontinued
0.6225 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6214 Remote Similarity NPD7500 Approved
0.619 Remote Similarity NPD8522 Clinical (unspecified phase)
0.6183 Remote Similarity NPD8320 Phase 1
0.6183 Remote Similarity NPD8319 Approved
0.6181 Remote Similarity NPD7122 Discontinued
0.6178 Remote Similarity NPD2575 Approved
0.6159 Remote Similarity NPD6430 Approved
0.6159 Remote Similarity NPD6429 Approved
0.6099 Remote Similarity NPD7115 Discovery
0.6099 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6057 Remote Similarity NPD8368 Discontinued
0.6054 Remote Similarity NPD7746 Phase 1
0.6054 Remote Similarity NPD7747 Phase 1
0.6053 Remote Similarity NPD3615 Approved
0.6053 Remote Similarity NPD3088 Approved
0.6053 Remote Similarity NPD4745 Approved
0.6053 Remote Similarity NPD2574 Discontinued
0.6053 Remote Similarity NPD3614 Approved
0.6053 Remote Similarity NPD2572 Clinical (unspecified phase)
0.6053 Remote Similarity NPD3089 Approved
0.6053 Remote Similarity NPD2566 Approved
0.6053 Remote Similarity NPD3616 Approved
0.6053 Remote Similarity NPD4746 Phase 3
0.6053 Remote Similarity NPD2571 Approved
0.6053 Remote Similarity NPD3087 Approved
0.6053 Remote Similarity NPD2570 Approved
0.6053 Remote Similarity NPD2573 Approved
0.6053 Remote Similarity NPD3090 Approved
0.6045 Remote Similarity NPD8407 Phase 2
0.6015 Remote Similarity NPD5344 Discontinued
0.6014 Remote Similarity NPD7736 Approved
0.6 Remote Similarity NPD7624 Clinical (unspecified phase)
0.6 Remote Similarity NPD8133 Approved
0.6 Remote Similarity NPD7623 Phase 3
0.6 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5985 Remote Similarity NPD5345 Clinical (unspecified phase)
0.5974 Remote Similarity NPD4686 Approved
0.5974 Remote Similarity NPD4685 Phase 3
0.5974 Remote Similarity NPD4684 Phase 3
0.5971 Remote Similarity NPD7116 Clinical (unspecified phase)
0.5969 Remote Similarity NPD5778 Approved
0.5969 Remote Similarity NPD5779 Approved
0.5931 Remote Similarity NPD8033 Approved
0.5926 Remote Similarity NPD1407 Approved
0.592 Remote Similarity NPD1733 Clinical (unspecified phase)
0.5912 Remote Similarity NPD6412 Phase 2
0.589 Remote Similarity NPD6370 Approved
0.5886 Remote Similarity NPD8470 Clinical (unspecified phase)
0.5862 Remote Similarity NPD8377 Approved
0.5862 Remote Similarity NPD8294 Approved
0.5855 Remote Similarity NPD2613 Approved
0.5839 Remote Similarity NPD8293 Discontinued
0.5839 Remote Similarity NPD4211 Phase 1
0.5833 Remote Similarity NPD7701 Phase 2
0.5827 Remote Similarity NPD8132 Clinical (unspecified phase)
0.5822 Remote Similarity NPD7739 Clinical (unspecified phase)
0.5822 Remote Similarity NPD8296 Approved
0.5822 Remote Similarity NPD7503 Approved
0.5822 Remote Similarity NPD8380 Approved
0.5822 Remote Similarity NPD8379 Approved
0.5822 Remote Similarity NPD6908 Approved
0.5822 Remote Similarity NPD8378 Approved
0.5822 Remote Similarity NPD8335 Approved
0.5822 Remote Similarity NPD6909 Approved
0.5814 Remote Similarity NPD5785 Approved
0.5811 Remote Similarity NPD7492 Approved
0.5775 Remote Similarity NPD1376 Discontinued
0.5772 Remote Similarity NPD6616 Approved
0.5753 Remote Similarity NPD6054 Approved
0.5753 Remote Similarity NPD6319 Approved
0.5753 Remote Similarity NPD7299 Clinical (unspecified phase)
0.5746 Remote Similarity NPD4225 Approved
0.5738 Remote Similarity NPD8435 Approved
0.5738 Remote Similarity NPD8360 Approved
0.5738 Remote Similarity NPD8361 Approved
0.5736 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5736 Remote Similarity NPD6101 Approved
0.5735 Remote Similarity NPD7139 Approved
0.5735 Remote Similarity NPD7140 Approved
0.5735 Remote Similarity NPD7141 Clinical (unspecified phase)
0.5733 Remote Similarity NPD7078 Approved
0.5725 Remote Similarity NPD1446 Phase 3
0.5725 Remote Similarity NPD1447 Phase 3
0.5724 Remote Similarity NPD7328 Approved
0.5724 Remote Similarity NPD7327 Approved
0.5714 Remote Similarity NPD8424 Clinical (unspecified phase)
0.5714 Remote Similarity NPD5349 Clinical (unspecified phase)
0.5714 Remote Similarity NPD6941 Approved
0.5714 Remote Similarity NPD6413 Approved
0.5704 Remote Similarity NPD6053 Discontinued
0.5704 Remote Similarity NPD6648 Approved
0.5685 Remote Similarity NPD7516 Approved
0.5682 Remote Similarity NPD5282 Discontinued
0.5679 Remote Similarity NPD7625 Phase 1
0.5669 Remote Similarity NPD5363 Approved
0.5657 Remote Similarity NPD7930 Approved
0.5649 Remote Similarity NPD6411 Approved
0.5648 Remote Similarity NPD7999 Approved
0.5638 Remote Similarity NPD7604 Phase 2
0.563 Remote Similarity NPD2255 Approved
0.5625 Remote Similarity NPD5786 Approved
0.5608 Remote Similarity NPD7700 Phase 2
0.5608 Remote Similarity NPD7699 Phase 2
0.5608 Remote Similarity NPD6015 Approved
0.5608 Remote Similarity NPD6016 Approved
0.5603 Remote Similarity NPD4061 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   6433412
ChEMBL   CHEMBL2355445
ZINC  

Physicochemical Properties

Molecular Weight:  841.45
ALogP:  -1.7631
MLogP:  4.21
XLogP:  2.131
# Rotatable Bonds:  27
Polar Surface Area:  215.42
# H-Bond Aceptor:  17
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  59

Download Data

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