Natural Product: NPC314629

Natural Product ID:  NPC314629
Common Name:   [6-(4-Dimethylamino-3,5-Dihydroxy-6-Methyl-Tetrahydro-Pyran-2-Yloxy)-16-Ethyl-4-Hydroxy-15-(5-Hydroxy-3,4-Dimethoxy-6-Methyl-Tetrahydro-Pyran-2-Yloxymethyl)-5,9,13-Trimethyl-2,10-Dioxo-Oxacyclohexadeca-11,13-Dien-7-Yl]-Acetaldehyde
IUPAC Name:   2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
Synonyms:  
Molecular Formula:   C39H65NO14
Standard InCHIKey:  QRPHLEPFYLNRDA-NLGRAQRVSA-N
Standard InCHI:  InChI=1S/C39H65NO14/c1-11-29-26(19-50-39-37(49-10)36(48-9)33(46)24(6)52-39)16-20(2)12-13-27(42)21(3)17-25(14-15-41)35(22(4)28(43)18-30(44)53-29)54-38-34(47)31(40(7)8)32(45)23(5)51-38/h12-13,15-16,21-26,28-29,31-39,43,45-47H,11,14,17-19H2,1-10H3/b13-12+,20-16+/t21-,22+,23-,24-,25+,26-,28-,29-,31+,32-,33-,34-,35-,36-,37-,38+,39-/m1/s1
Canonical SMILES:  O=CC[C@H]1C[C@@H](C)C(=O)/C=C/C(=C/[C@@H]([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)O)CC)CO[C@@H]1O[C@H](C)[C@H]([C@H]([C@H]1OC)OC)O)/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
NPO24176 Streptomyces fradiae Species Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 0.5 ug/ml 3398001
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis MIC = 0.5 ug/ml 3398001
NPT1228 Organism Streptococcus pyogenes Streptococcus pyogenes MIC = 0.25 ug/ml 3398001
NPT1118 Organism Streptococcus pneumoniae Streptococcus pneumoniae MIC = 0.25 ug/ml 3398001
NPT1531 Organism Enterococcus faecium Enterococcus faecium MIC = 4 ug/ml 3398001
NPT1122 Organism Haemophilus influenzae Haemophilus influenzae MIC = 4 ug/ml 3398001
NPT1228 Organism Streptococcus pyogenes Streptococcus pyogenes ED50 = 1.4 mg/kg 3398001
NPT1228 Organism Streptococcus pyogenes Streptococcus pyogenes ED50 = 84 mg/kg 3398001
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 1 ug/ml 3398001
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis MIC = 0.25 ug/ml 3398001
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis MIC > 128 ug/ml 3398001
NPT174 Organism Streptococcus Streptococcus MIC = 0.5 ug/ml 3398001
NPT1238 Organism Staphylococcus Staphylococcus MIC = 0.5 ug/ml 3398001
NPT1238 Organism Staphylococcus Staphylococcus MIC = 1 ug/ml 3398001
NPT1238 Organism Staphylococcus Staphylococcus MIC = 0.25 ug/ml 3398001
NPT1118 Organism Streptococcus pneumoniae Streptococcus pneumoniae MIC > 128 ug/ml 3398001
NPT1172 Organism Streptococcus sanguinis Streptococcus sanguinis MIC = 0.5 ug/ml 3398001
NPT3843 Organism Streptococcus viridans Streptococcus viridans MIC > 128 ug/ml 3398001
NPT1122 Organism Haemophilus influenzae Haemophilus influenzae MIC = 8 ug/ml 3398001
NPT1122 Organism Haemophilus influenzae Haemophilus influenzae MIC = 16 ug/ml 3398001
NPT1122 Organism Haemophilus influenzae Haemophilus influenzae MIC = 32 ug/ml 3398001
NPT3189 Organism Haemophilus parainfluenzae Haemophilus parainfluenzae MIC = 8 ug/ml 3398001
NPT2940 Organism Clostridium difficile Clostridium difficile MIC = 0.25 ug/ml 3398001
NPT1359 Organism Clostridium perfringens Clostridium perfringens MIC = 0.25 ug/ml 3398001
NPT4834 Organism Clostridium septicum Clostridium septicum MIC = 2 ug/ml 3398001
NPT4982 Organism Collinsella aerofaciens Collinsella aerofaciens MIC = 0.12 ug/ml 3398001
NPT4818 Organism Peptoniphilus asaccharolyticus Peptoniphilus asaccharolyticus MIC = 8 ug/ml 3398001
NPT4819 Organism Anaerococcus prevotii Anaerococcus prevotii MIC = 4 ug/ml 3398001
NPT4821 Organism Peptostreptococcus anaerobius Peptostreptococcus anaerobius MIC = 4 ug/ml 3398001
NPT2 Others Unspecified MIC = 16 ug/ml 3398001
NPT167 Organism Propionibacterium acnes Propionibacterium acnes MIC = 2 ug/ml 3398001
NPT1092 Organism Bacteroides fragilis Bacteroides fragilis MIC = 8 ug/ml 3398001
NPT3572 Organism Bacteroides thetaiotaomicron Bacteroides thetaiotaomicron MIC = 2 ug/ml 3398001
NPT4829 Organism Prevotella melaninogenica Prevotella melaninogenica MIC = 8 ug/ml 3398001
NPT4829 Organism Prevotella melaninogenica Prevotella melaninogenica MIC = 16 ug/ml 3398001
NPT4808 Organism Bacteroides vulgatus Bacteroides vulgatus MIC = 8 ug/ml 3398001
NPT5302 Organism Eikenella corrodens Eikenella corrodens MIC = 8 ug/ml 3398001
NPT5303 Organism Fusobacterium Fusobacterium MIC = 2 ug/ml 3398001
NPT4828 Organism Fusobacterium necrophorum Fusobacterium necrophorum MIC = 1 ug/ml 3398001
NPT4208 Organism Chlamydia trachomatis Chlamydia trachomatis MIC = 0.5 ug/ml 3398001
NPT1118 Organism Streptococcus pneumoniae Streptococcus pneumoniae ED50 > 10 mg/kg 3398001
NPT1118 Organism Streptococcus pneumoniae Streptococcus pneumoniae ED50 > 100 mg/kg 3398001
NPT16 Organism Staphylococcus aureus Staphylococcus aureus ED50 = 3.9 mg/kg 3398001
NPT16 Organism Staphylococcus aureus Staphylococcus aureus ED50 > 100 mg/kg 3398001
NPT1228 Organism Streptococcus pyogenes Streptococcus pyogenes ED50 = 0.25 mg/kg 3398001
NPT1228 Organism Streptococcus pyogenes Streptococcus pyogenes ED50 = 0.8 mg/kg 3398001
NPT1228 Organism Streptococcus pyogenes Streptococcus pyogenes MIC = 80 ug/ml 3398001

  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 NPC314629 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
0.9576 High Similarity NPC315387
0.9576 High Similarity NPC316205
0.9115 High Similarity NPC261750
0.9115 High Similarity NPC1111
0.9076 High Similarity NPC314451
0.9076 High Similarity NPC313342
0.9076 High Similarity NPC314512
0.9076 High Similarity NPC313333
0.8947 High Similarity NPC60432
0.8943 High Similarity NPC316401
0.8926 High Similarity NPC314282
0.8833 High Similarity NPC316133
0.8833 High Similarity NPC318445
0.8803 High Similarity NPC6531
0.8718 High Similarity NPC30196
0.8374 Intermediate Similarity NPC315783
0.8197 Intermediate Similarity NPC314268
0.8197 Intermediate Similarity NPC477515
0.8197 Intermediate Similarity NPC67917
0.8197 Intermediate Similarity NPC313802
0.8 Intermediate Similarity NPC227622
0.7742 Intermediate Similarity NPC475642
0.7583 Intermediate Similarity NPC137453
0.75 Intermediate Similarity NPC475383
0.75 Intermediate Similarity NPC156379
0.748 Intermediate Similarity NPC241050
0.748 Intermediate Similarity NPC21713
0.748 Intermediate Similarity NPC475608
0.7377 Intermediate Similarity NPC193765
0.7373 Intermediate Similarity NPC469871
0.7373 Intermediate Similarity NPC469870
0.7353 Intermediate Similarity NPC99864
0.7317 Intermediate Similarity NPC473578
0.7311 Intermediate Similarity NPC476611
0.7304 Intermediate Similarity NPC478037
0.7304 Intermediate Similarity NPC478036
0.7279 Intermediate Similarity NPC120420
0.7273 Intermediate Similarity NPC469869
0.7236 Intermediate Similarity NPC473807
0.7231 Intermediate Similarity NPC470829
0.7231 Intermediate Similarity NPC473228
0.7213 Intermediate Similarity NPC476740
0.7213 Intermediate Similarity NPC476738
0.7206 Intermediate Similarity NPC314361
0.7203 Intermediate Similarity NPC476613
0.7203 Intermediate Similarity NPC476612
0.719 Intermediate Similarity NPC309398
0.7153 Intermediate Similarity NPC78189
0.7143 Intermediate Similarity NPC469865
0.7132 Intermediate Similarity NPC13710
0.7073 Intermediate Similarity NPC201128
0.7069 Intermediate Similarity NPC472197
0.7069 Intermediate Similarity NPC472199
0.7059 Intermediate Similarity NPC278506
0.7049 Intermediate Similarity NPC474581
0.7049 Intermediate Similarity NPC473816
0.7049 Intermediate Similarity NPC475367
0.7 Intermediate Similarity NPC261377
0.7 Intermediate Similarity NPC187761
0.7 Intermediate Similarity NPC255592
0.7 Intermediate Similarity NPC83895
0.7 Intermediate Similarity NPC475309
0.7 Intermediate Similarity NPC308567
0.6992 Remote Similarity NPC264584
0.6984 Remote Similarity NPC472508
0.6983 Remote Similarity NPC313670
0.6975 Remote Similarity NPC180722
0.6975 Remote Similarity NPC165332
0.6975 Remote Similarity NPC195645
0.697 Remote Similarity NPC469812
0.697 Remote Similarity NPC170880
0.697 Remote Similarity NPC183353
0.6967 Remote Similarity NPC313569
0.696 Remote Similarity NPC472507
0.6949 Remote Similarity NPC71589
0.6949 Remote Similarity NPC472198
0.694 Remote Similarity NPC469494
0.6935 Remote Similarity NPC478038
0.6929 Remote Similarity NPC145899
0.6917 Remote Similarity NPC40812
0.6905 Remote Similarity NPC315836
0.6905 Remote Similarity NPC313668
0.6905 Remote Similarity NPC133625
0.6894 Remote Similarity NPC48692
0.6885 Remote Similarity NPC154132
0.6885 Remote Similarity NPC475655
0.6885 Remote Similarity NPC316250
0.6885 Remote Similarity NPC2313
0.6885 Remote Similarity NPC471637
0.6885 Remote Similarity NPC57586
0.6885 Remote Similarity NPC475157
0.6884 Remote Similarity NPC139585
0.6879 Remote Similarity NPC230889
0.6864 Remote Similarity NPC238090
0.6864 Remote Similarity NPC472195
0.6864 Remote Similarity NPC472196
0.686 Remote Similarity NPC70733
0.686 Remote Similarity NPC56071
0.686 Remote Similarity NPC161855
0.6857 Remote Similarity NPC75318
0.6838 Remote Similarity NPC473311
0.6831 Remote Similarity NPC243680
0.6831 Remote Similarity NPC200788
0.6829 Remote Similarity NPC477198
0.6829 Remote Similarity NPC473596
0.6825 Remote Similarity NPC475150
0.6825 Remote Similarity NPC475960
0.6814 Remote Similarity NPC156089
0.6814 Remote Similarity NPC38295
0.6814 Remote Similarity NPC473500
0.6814 Remote Similarity NPC470313
0.6807 Remote Similarity NPC5418
0.6807 Remote Similarity NPC159698
0.68 Remote Similarity NPC475918
0.6791 Remote Similarity NPC471965
0.6791 Remote Similarity NPC275343
0.6788 Remote Similarity NPC329919
0.6788 Remote Similarity NPC477793
0.6786 Remote Similarity NPC76999
0.678 Remote Similarity NPC470373
0.678 Remote Similarity NPC470379
0.6777 Remote Similarity NPC266842
0.6774 Remote Similarity NPC197736
0.6772 Remote Similarity NPC118225
0.6767 Remote Similarity NPC477143
0.6767 Remote Similarity NPC477140
0.675 Remote Similarity NPC108141
0.6742 Remote Similarity NPC120599
0.6742 Remote Similarity NPC201889
0.6742 Remote Similarity NPC106791
0.6742 Remote Similarity NPC234522
0.6742 Remote Similarity NPC200412
0.6742 Remote Similarity NPC156336
0.6741 Remote Similarity NPC262199
0.6741 Remote Similarity NPC14617
0.6741 Remote Similarity NPC471961
0.6741 Remote Similarity NPC202666
0.6741 Remote Similarity NPC471964
0.6736 Remote Similarity NPC82931
0.6736 Remote Similarity NPC210729
0.6736 Remote Similarity NPC172365
0.6735 Remote Similarity NPC316249
0.6724 Remote Similarity NPC86005
0.6724 Remote Similarity NPC477959
0.6723 Remote Similarity NPC320089
0.6721 Remote Similarity NPC472015
0.6721 Remote Similarity NPC203627
0.672 Remote Similarity NPC231271
0.672 Remote Similarity NPC470519
0.6719 Remote Similarity NPC83005
0.6718 Remote Similarity NPC473126
0.6716 Remote Similarity NPC242840
0.6716 Remote Similarity NPC469515
0.6716 Remote Similarity NPC31193
0.6714 Remote Similarity NPC73829
0.6714 Remote Similarity NPC119794
0.6694 Remote Similarity NPC473291
0.6694 Remote Similarity NPC306041
0.6694 Remote Similarity NPC255410
0.6692 Remote Similarity NPC319570
0.6691 Remote Similarity NPC30188
0.6691 Remote Similarity NPC469842
0.6691 Remote Similarity NPC471962
0.6691 Remote Similarity NPC177820
0.6691 Remote Similarity NPC247315
0.6691 Remote Similarity NPC6615
0.6691 Remote Similarity NPC7850
0.6691 Remote Similarity NPC469841
0.6691 Remote Similarity NPC471963
0.6689 Remote Similarity NPC265699
0.6667 Remote Similarity NPC471756
0.6667 Remote Similarity NPC471755
0.6667 Remote Similarity NPC315070
0.6667 Remote Similarity NPC29501
0.6667 Remote Similarity NPC201046
0.6667 Remote Similarity NPC245094
0.6667 Remote Similarity NPC309433
0.6645 Remote Similarity NPC174336
0.6645 Remote Similarity NPC100612
0.6645 Remote Similarity NPC187497
0.6645 Remote Similarity NPC113620
0.6645 Remote Similarity NPC475599
0.6644 Remote Similarity NPC803
0.6643 Remote Similarity NPC475472
0.6643 Remote Similarity NPC477195
0.6642 Remote Similarity NPC174367
0.6642 Remote Similarity NPC47113
0.6642 Remote Similarity NPC285091
0.6642 Remote Similarity NPC309525
0.6642 Remote Similarity NPC294112
0.6642 Remote Similarity NPC314482
0.6641 Remote Similarity NPC74727
0.6641 Remote Similarity NPC471645
0.6639 Remote Similarity NPC120299
0.6637 Remote Similarity NPC21693
0.6637 Remote Similarity NPC236649
0.662 Remote Similarity NPC235772
0.662 Remote Similarity NPC280941
0.662 Remote Similarity NPC110700
0.662 Remote Similarity NPC279915

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC314629 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
0.9558 High Similarity NPD7641 Discontinued
0.9076 High Similarity NPD8341 Approved
0.9076 High Similarity NPD8299 Approved
0.9076 High Similarity NPD8340 Approved
0.9076 High Similarity NPD8342 Approved
0.9 High Similarity NPD8451 Approved
0.8926 High Similarity NPD8448 Approved
0.8833 High Similarity NPD7642 Approved
0.871 High Similarity NPD8391 Approved
0.871 High Similarity NPD8390 Approved
0.871 High Similarity NPD8392 Approved
0.8443 Intermediate Similarity NPD8080 Discontinued
0.8374 Intermediate Similarity NPD7830 Approved
0.8374 Intermediate Similarity NPD7829 Approved
0.8333 Intermediate Similarity NPD8137 Clinical (unspecified phase)
0.8211 Intermediate Similarity NPD8274 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD8085 Approved
0.8 Intermediate Similarity NPD8084 Approved
0.8 Intermediate Similarity NPD8086 Approved
0.8 Intermediate Similarity NPD8138 Approved
0.8 Intermediate Similarity NPD8082 Approved
0.8 Intermediate Similarity NPD8139 Approved
0.8 Intermediate Similarity NPD8083 Approved
0.7931 Intermediate Similarity NPD8275 Approved
0.7931 Intermediate Similarity NPD8276 Approved
0.792 Intermediate Similarity NPD8444 Approved
0.7863 Intermediate Similarity NPD8081 Approved
0.7797 Intermediate Similarity NPD8393 Approved
0.7557 Intermediate Similarity NPD8337 Approved
0.7557 Intermediate Similarity NPD8336 Approved
0.7438 Intermediate Similarity NPD8140 Approved
0.7438 Intermediate Similarity NPD8307 Discontinued
0.7353 Intermediate Similarity NPD8415 Approved
0.7333 Intermediate Similarity NPD8338 Approved
0.7317 Intermediate Similarity NPD8305 Approved
0.7317 Intermediate Similarity NPD8306 Approved
0.731 Intermediate Similarity NPD8389 Clinical (unspecified phase)
0.7299 Intermediate Similarity NPD8387 Clinical (unspecified phase)
0.7258 Intermediate Similarity NPD8087 Discontinued
0.7107 Intermediate Similarity NPD8301 Approved
0.7107 Intermediate Similarity NPD8300 Approved
0.7069 Intermediate Similarity NPD7983 Approved
0.7015 Intermediate Similarity NPD8273 Phase 1
0.7 Intermediate Similarity NPD8029 Clinical (unspecified phase)
0.6975 Remote Similarity NPD7839 Suspended
0.697 Remote Similarity NPD8516 Approved
0.697 Remote Similarity NPD8515 Approved
0.697 Remote Similarity NPD8517 Approved
0.697 Remote Similarity NPD8513 Phase 3
0.6963 Remote Similarity NPD8074 Phase 3
0.6806 Remote Similarity NPD8384 Approved
0.6767 Remote Similarity NPD8345 Approved
0.6767 Remote Similarity NPD8347 Approved
0.6767 Remote Similarity NPD8346 Approved
0.6741 Remote Similarity NPD8328 Phase 3
0.6562 Remote Similarity NPD6686 Approved
0.6555 Remote Similarity NPD6698 Approved
0.6555 Remote Similarity NPD46 Approved
0.6525 Remote Similarity NPD7260 Phase 2
0.6479 Remote Similarity NPD2613 Approved
0.6471 Remote Similarity NPD8266 Approved
0.6471 Remote Similarity NPD6921 Approved
0.6471 Remote Similarity NPD8269 Approved
0.6471 Remote Similarity NPD8267 Approved
0.6471 Remote Similarity NPD8268 Approved
0.6418 Remote Similarity NPD7500 Approved
0.6418 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6417 Remote Similarity NPD7838 Discovery
0.6412 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6377 Remote Similarity NPD7122 Discontinued
0.6364 Remote Similarity NPD6845 Suspended
0.6345 Remote Similarity NPD2574 Discontinued
0.6345 Remote Similarity NPD3089 Approved
0.6345 Remote Similarity NPD3088 Approved
0.6345 Remote Similarity NPD3614 Approved
0.6345 Remote Similarity NPD4746 Phase 3
0.6345 Remote Similarity NPD3087 Approved
0.6345 Remote Similarity NPD3090 Approved
0.6345 Remote Similarity NPD2566 Approved
0.6345 Remote Similarity NPD3616 Approved
0.6345 Remote Similarity NPD2570 Approved
0.6345 Remote Similarity NPD2572 Clinical (unspecified phase)
0.6345 Remote Similarity NPD3615 Approved
0.6345 Remote Similarity NPD4745 Approved
0.6345 Remote Similarity NPD2571 Approved
0.6345 Remote Similarity NPD2573 Approved
0.6336 Remote Similarity NPD6421 Discontinued
0.6333 Remote Similarity NPD6101 Approved
0.6333 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6311 Remote Similarity NPD5778 Approved
0.6311 Remote Similarity NPD5779 Approved
0.6288 Remote Similarity NPD2204 Approved
0.6268 Remote Similarity NPD7319 Approved
0.6259 Remote Similarity NPD4684 Phase 3
0.6259 Remote Similarity NPD4685 Phase 3
0.6259 Remote Similarity NPD4686 Approved
0.6242 Remote Similarity NPD8414 Discontinued
0.6241 Remote Similarity NPD7747 Phase 1
0.6241 Remote Similarity NPD7746 Phase 1
0.6231 Remote Similarity NPD6412 Phase 2
0.623 Remote Similarity NPD6411 Approved
0.6224 Remote Similarity NPD6914 Discontinued
0.6197 Remote Similarity NPD7736 Approved
0.619 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6187 Remote Similarity NPD7623 Phase 3
0.6187 Remote Similarity NPD7624 Clinical (unspecified phase)
0.617 Remote Similarity NPD7507 Approved
0.6165 Remote Similarity NPD7116 Clinical (unspecified phase)
0.6148 Remote Similarity NPD8522 Clinical (unspecified phase)
0.6144 Remote Similarity NPD2575 Approved
0.6136 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6119 Remote Similarity NPD6430 Approved
0.6119 Remote Similarity NPD6429 Approved
0.6107 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6071 Remote Similarity NPD6370 Approved
0.6066 Remote Similarity NPD8320 Phase 1
0.6066 Remote Similarity NPD8319 Approved
0.6014 Remote Similarity NPD8293 Discontinued
0.6 Remote Similarity NPD7739 Clinical (unspecified phase)
0.5986 Remote Similarity NPD2608 Approved
0.5986 Remote Similarity NPD4218 Approved
0.5986 Remote Similarity NPD4215 Approved
0.5986 Remote Similarity NPD2611 Approved
0.5986 Remote Similarity NPD7492 Approved
0.5986 Remote Similarity NPD2609 Approved
0.5986 Remote Similarity NPD4216 Approved
0.5986 Remote Similarity NPD4217 Approved
0.5986 Remote Similarity NPD3132 Approved
0.5986 Remote Similarity NPD3131 Approved
0.5986 Remote Similarity NPD2610 Approved
0.5986 Remote Similarity NPD2612 Approved
0.597 Remote Similarity NPD6371 Approved
0.5952 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5944 Remote Similarity NPD6616 Approved
0.593 Remote Similarity NPD8368 Discontinued
0.5929 Remote Similarity NPD7299 Clinical (unspecified phase)
0.5929 Remote Similarity NPD6054 Approved
0.5929 Remote Similarity NPD6319 Approved
0.592 Remote Similarity NPD1447 Phase 3
0.592 Remote Similarity NPD8407 Phase 2
0.592 Remote Similarity NPD1446 Phase 3
0.5906 Remote Similarity NPD5349 Clinical (unspecified phase)
0.5903 Remote Similarity NPD7078 Approved
0.5901 Remote Similarity NPD8417 Discontinued
0.5887 Remote Similarity NPD6909 Approved
0.5887 Remote Similarity NPD6908 Approved
0.5878 Remote Similarity NPD1407 Approved
0.5873 Remote Similarity NPD5282 Discontinued
0.5848 Remote Similarity NPD8470 Clinical (unspecified phase)
0.5814 Remote Similarity NPD2255 Approved
0.5802 Remote Similarity NPD7139 Approved
0.5802 Remote Similarity NPD7140 Approved
0.5802 Remote Similarity NPD7141 Clinical (unspecified phase)
0.5778 Remote Similarity NPD6941 Approved
0.5775 Remote Similarity NPD6016 Approved
0.5775 Remote Similarity NPD7503 Approved
0.5775 Remote Similarity NPD6015 Approved
0.5766 Remote Similarity NPD8297 Approved
0.5766 Remote Similarity NPD6882 Approved
0.575 Remote Similarity NPD6435 Approved
0.575 Remote Similarity NPD7345 Approved
0.5745 Remote Similarity NPD7519 Approved
0.5745 Remote Similarity NPD7517 Approved
0.5745 Remote Similarity NPD7518 Approved
0.5738 Remote Similarity NPD5363 Approved
0.5734 Remote Similarity NPD5988 Approved
0.5725 Remote Similarity NPD8133 Approved
0.5714 Remote Similarity NPD6009 Approved
0.5714 Remote Similarity NPD7701 Phase 2
0.5705 Remote Similarity NPD8449 Approved
0.5704 Remote Similarity NPD6059 Approved
0.5704 Remote Similarity NPD5345 Clinical (unspecified phase)
0.5698 Remote Similarity NPD8360 Approved
0.5698 Remote Similarity NPD8361 Approved
0.5698 Remote Similarity NPD8435 Approved
0.5694 Remote Similarity NPD7604 Phase 2
0.5691 Remote Similarity NPD5786 Approved
0.5672 Remote Similarity NPD4211 Phase 1
0.5672 Remote Similarity NPD7333 Discontinued
0.5667 Remote Similarity NPD5369 Approved
0.5667 Remote Similarity NPD8450 Suspended
0.5664 Remote Similarity NPD8033 Approved
0.5635 Remote Similarity NPD5785 Approved
0.5621 Remote Similarity NPD6334 Approved
0.5621 Remote Similarity NPD6333 Approved
0.5612 Remote Similarity NPD4632 Approved
0.5612 Remote Similarity NPD1376 Discontinued
0.5612 Remote Similarity NPD3731 Phase 3
0.561 Remote Similarity NPD1733 Clinical (unspecified phase)
0.5608 Remote Similarity NPD2160 Approved
0.5608 Remote Similarity NPD2625 Approved
0.5608 Remote Similarity NPD2627 Approved
0.5608 Remote Similarity NPD2628 Approved
0.5608 Remote Similarity NPD2159 Approved
0.5608 Remote Similarity NPD2626 Approved
0.5603 Remote Similarity NPD6936 Clinical (unspecified phase)
0.5603 Remote Similarity NPD7505 Discontinued
0.5603 Remote Similarity NPD6935 Phase 3
0.5603 Remote Similarity NPD7115 Discovery

Structure

External Identifiers

PubChem CID   6437804
ChEMBL   CHEMBL43441
ZINC  

Physicochemical Properties

Molecular Weight:  771.44
ALogP:  -2.0799
MLogP:  4.1
XLogP:  0.174
# Rotatable Bonds:  25
Polar Surface Area:  199.98
# H-Bond Aceptor:  15
# H-Bond Donor:  4
# Rings:  3
# Heavy Atoms:  54

Download Data

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