Natural Product: NPC195969

Natural Product ID:  NPC195969
Common Name:   Paromomycin
IUPAC Name:   (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol
Synonyms:   Aminosidine; Monomycin; Paromomycin
Molecular Formula:   C23H45N5O14
Standard InCHIKey:  UOZODPSAJZTQNH-LSWIJEOBSA-N
Standard InCHI:  InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
Canonical SMILES:  OC[C@H]1O[C@H]([C@@H]([C@@H]1O[C@H]1O[C@@H](CN)[C@H]([C@@H]([C@H]1N)O)O)O)O[C@@H]1[C@@H](O)[C@H](N)C[C@@H]([C@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1N)O)O)N
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   BGC0000712 ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO22810 Streptomyces Species Streptomycetaceae Bacteria StreptomeDB*
NPO4890 Streptomyces rimosus Species Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT317 Uncleic Acid Nucleic Acid MIC > 100000 nM 9457241
NPT317 Uncleic Acid Nucleic Acid Kd = 1640 nM 11814798
NPT317 Uncleic Acid Nucleic Acid Kd = 1580 nM 11814798
NPT317 Uncleic Acid Nucleic Acid Kd = 5330 nM 11814798
NPT317 Uncleic Acid Nucleic Acid Kd = 1700 nM 11814798
NPT317 Uncleic Acid Nucleic Acid Kd = 400 nM 11814798
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 1000 nM 12951103
NPT19 Organism Escherichia coli Escherichia coli MIC = 3000 nM 12951103
NPT2 Others Unspecified MIC = 560 nM 12951103
NPT2 Others Unspecified Kd = 3830 nM 12127547
NPT2 Others Unspecified Kd = 440 nM 12127547
NPT2 Others Unspecified Kd = 12600 nM 12127547
NPT2 Others Unspecified Kd = 5850 nM 12127547
NPT4383 Uncleic Acid Ribosomal RNA A-site Kd = 200 nM 11206440
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 3000 nM 14980669
NPT19 Organism Escherichia coli Escherichia coli MIC = 6000 nM 14980669
NPT144 Individual Protein Telomerase reverse transcriptase Homo sapiens Inhibition = 60 % 15177454
NPT144 Individual Protein Telomerase reverse transcriptase Homo sapiens Inhibition = 29 % 15177454
NPT2 Others Unspecified Inhibition = 0 % 15177454
NPT79 Organism Bacillus subtilis Bacillus subtilis Kd = 50000 nM 15808490
NPT4383 Uncleic Acid Ribosomal RNA A-site Kd = 100 nM 16168642
NPT317 Uncleic Acid Nucleic Acid IC50 = 600 nM 16168642
NPT5110 Organism Meriones unguiculatus Meriones unguiculatus Activity = 14 % 16480281
NPT5110 Organism Meriones unguiculatus Meriones unguiculatus Activity = 17.6 % 16480281
NPT4383 Uncleic Acid Ribosomal RNA A-site Kd = 390 nM 16942021
NPT19 Organism Escherichia coli Escherichia coli Activity = 40 % 17088492
NPT19 Organism Escherichia coli Escherichia coli Activity = 70 % 17088492
NPT19 Organism Escherichia coli Escherichia coli Activity = 55 % 17088492
NPT19 Organism Escherichia coli Escherichia coli MIC = 0.25 ug/ml 17088477
NPT19 Organism Escherichia coli Escherichia coli MIC = 128 ug/ml 17088477
NPT1521 Organism Stenotrophomonas maltophilia Stenotrophomonas maltophilia MIC = 256 ug/ml 17088477
NPT1521 Organism Stenotrophomonas maltophilia Stenotrophomonas maltophilia MIC = 64 ug/ml 17088477
NPT2 Others Unspecified MIC = 250 ug/ml 17060530
NPT2900 Organism Bifidobacterium longum Bifidobacterium longum MIC = 250 ug/ml 17060530
NPT2901 Organism Bifidobacterium thermophilum Bifidobacterium thermophilum MIC = 250 ug/ml 17060530
NPT2 Others Unspecified MIC = 500 ug/ml 17060530
NPT2 Others Unspecified MIC = 125 ug/ml 17060530
NPT2900 Organism Bifidobacterium longum Bifidobacterium longum MIC = 500 ug/ml 17060530
NPT2901 Organism Bifidobacterium thermophilum Bifidobacterium thermophilum MIC = 500 ug/ml 17060530
NPT2900 Organism Bifidobacterium longum Bifidobacterium longum MIC = 125 ug/ml 17060530
NPT2900 Organism Bifidobacterium longum Bifidobacterium longum MIC = 62.5 ug/ml 17060530
NPT19 Organism Escherichia coli Escherichia coli Activity = 50 % 17088492
NPT19 Organism Escherichia coli Escherichia coli MIC = 3 ug/ml 17458946
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 1 ug/ml 17458946
NPT2 Others Unspecified Kd = 370 nM 17399988
NPT2 Others Unspecified Kd = 980 nM 17399988
NPT317 Uncleic Acid Nucleic Acid Activity = 40 % 19309154
NPT317 Uncleic Acid Nucleic Acid Activity = 1.62 % 19309154
NPT71 Cell Line HEK293 Homo sapiens LC50 = 1200000 nM 19309154
NPT616 Cell Line MDCK Canis lupus familiaris LC50 = 1500000 nM 19309154
NPT32 Organism Mus musculus Mus musculus LD50 = 80 mg/kg 19309154
NPT19 Organism Escherichia coli Escherichia coli MIC = 22000 nM 19309154
NPT19 Organism Escherichia coli Escherichia coli IC50 = 56 nM 19309154
NPT317 Uncleic Acid Nucleic Acid Kd < 12000 nM 19445516
NPT19 Organism Escherichia coli Escherichia coli MIC = 64 ug/ml 17875999
NPT19 Organism Escherichia coli Escherichia coli MIC = 4 ug/ml 17875999
NPT19 Organism Escherichia coli Escherichia coli MIC = 0.5 ug/ml 17875999
NPT19 Organism Escherichia coli Escherichia coli MIC = 1 ug/ml 17875999
NPT317 Uncleic Acid Nucleic Acid Activity = 2 % 19946275
NPT317 Uncleic Acid Nucleic Acid Activity = 12 % 19946275
NPT317 Uncleic Acid Nucleic Acid Activity = 63.9 % 19946275
NPT317 Uncleic Acid Nucleic Acid Activity = 0.51 /s 19946275
NPT2905 Organism Nocardia farcinica Nocardia farcinica MIC > 1024 ug/ml 20308368
NPT2905 Organism Nocardia farcinica Nocardia farcinica MIC = 8 ug/ml 20308368
NPT633 Organism Leishmania donovani Leishmania donovani IC50 > 100000 nM 20368397
NPT841 Organism Leishmania major Leishmania major IC50 = 25000 nM 20368397
NPT634 Organism Leishmania amazonensis Leishmania amazonensis IC50 = 19000 nM 20368397
NPT633 Organism Leishmania donovani Leishmania donovani IC50 > 50000 nM 20368397
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 1 ug/ml 20970332
NPT19 Organism Escherichia coli Escherichia coli MIC = 3 ug/ml 20970332
NPT2908 Organism Streptomyces coelicolor Streptomyces coelicolor MIC = 0.1 ug/ml 19104019
NPT2908 Organism Streptomyces coelicolor Streptomyces coelicolor MIC = 0.3 ug/ml 19104019
NPT2908 Organism Streptomyces coelicolor Streptomyces coelicolor MIC = 0.8 ug/ml 19104019
NPT2908 Organism Streptomyces coelicolor Streptomyces coelicolor MIC = 2 ug/ml 19104019
NPT2908 Organism Streptomyces coelicolor Streptomyces coelicolor MIC = 3 ug/ml 19104019
NPT5112 Individual Protein 30S ribosomal protein S12 Streptomyces coelicolor (strain ATCC BAA-471 / A3(2) / M145) Inhibition = 80 % 19104019
NPT2 Others Unspecified Inhibition > 80 % 19104019
NPT1022 Organism Cryptosporidium parvum Cryptosporidium parvum IC50 = 711 nM 18591280
NPT1022 Organism Cryptosporidium parvum Cryptosporidium parvum Activity = 95 % 18591280
NPT1022 Organism Cryptosporidium parvum Cryptosporidium parvum Activity = 96.4 % 18591280
NPT1022 Organism Cryptosporidium parvum Cryptosporidium parvum Activity < 2 % 18591280
NPT1022 Organism Cryptosporidium parvum Cryptosporidium parvum Inhibition = 40 % 18591280
NPT1022 Organism Cryptosporidium parvum Cryptosporidium parvum Activity > 80 % 18591280
NPT1022 Organism Cryptosporidium parvum Cryptosporidium parvum Activity = 90 % 18591280
NPT1022 Organism Cryptosporidium parvum Cryptosporidium parvum Activity = 85 % 18591280
NPT633 Organism Leishmania donovani Leishmania donovani Inhibition = 123.92 % 21295472
NPT633 Organism Leishmania donovani Leishmania donovani IC50 = 24.79 ug/ml 21295472
NPT1182 Cell Line J774.A1 Mus musculus CC50 = 53.33 ug/ml 21295472
NPT2 Others Unspecified Ratio CC50/IC50 = 2.15 21295472
NPT633 Organism Leishmania donovani Leishmania donovani Inhibition = 46.7 % 21295472
NPT841 Organism Leishmania major Leishmania major EC50 = 4290 nM 21199921
NPT841 Organism Leishmania major Leishmania major EC50 = 3980 nM 21199921
NPT841 Organism Leishmania major Leishmania major Ratio EC50 = 1 21199921
NPT1022 Organism Cryptosporidium parvum Cryptosporidium parvum EC50 = 65000 nM 22310229
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 2 ug/ml 24900282
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 64 ug/ml 24900282
NPT633 Organism Leishmania donovani Leishmania donovani GI = 46.7 % 23031597
NPT633 Organism Leishmania donovani Leishmania donovani IC50 = 85500 nM 22989363
NPT633 Organism Leishmania donovani Leishmania donovani IC50 = 62600 nM 22989363
NPT633 Organism Leishmania donovani Leishmania donovani IC50 = 41000 nM 22989363
NPT633 Organism Leishmania donovani Leishmania donovani IC50 = 24500 nM 22989363
NPT2 Others Unspecified Ratio IC50 > 4.1 22989363
NPT2 Others Unspecified IC50 > 100000 nM 22989363
NPT113 Cell Line RAW264.7 Mus musculus IC50 > 100000 nM 22989363
NPT2 Others Unspecified Ratio IC50 > 1.6 22989363
NPT2 Others Unspecified Ratio IC50 > 1.2 22989363
NPT2 Others Unspecified Ratio IC50 > 2.4 22989363
NPT2 Others Unspecified MIC > 64 ug/ml 23602621
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 64 ug/ml 23602621
NPT1228 Organism Streptococcus pyogenes Streptococcus pyogenes MIC = 64 ug/ml 23602621
NPT2 Others Unspecified MIC = 64 ug/ml 23602621
NPT2 Others Unspecified MIC = 32 ug/ml 23602621
NPT1228 Organism Streptococcus pyogenes Streptococcus pyogenes MIC = 16 ug/ml 23602621
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 16 ug/ml 23602621
NPT1277 Organism Staphylococcus epidermidis ATCC 12228 Staphylococcus epidermidis ATCC 12228 MIC = 2 ug/ml 23602621
NPT633 Organism Leishmania donovani Leishmania donovani Inhibition = 46 % 23673014
NPT2 Others Unspecified Ratio CC50/IC50 = 2 23673014
NPT189 Cell Line Vero Chlorocebus aethiops CC50 = 53300 nM 23673014
NPT633 Organism Leishmania donovani Leishmania donovani IC50 = 24800 nM 23673014
NPT1466 Organism Escherichia coli K12 Escherichia coli K-12 MIC = 113 ug/ml 24457095
NPT19 Organism Escherichia coli Escherichia coli MIC = 4 ug/ml 24457095
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC = 113 ug/ml 24457095
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 4 ug/ml 24457095
NPT2 Others Unspecified IC50 = 10.42 ug/ml 10.1039/C4MD00119B
NPT2 Others Unspecified IC50 = 0.03 ug/ml 10.1039/C4MD00119B
NPT2 Others Unspecified IC50 = 0.57 ug/ml 10.1039/C4MD00119B
NPT2 Others Unspecified IC50 = 0.26 ug/ml 10.1039/C4MD00119B
NPT2 Others Unspecified IC50 = 50.54 ug/ml 10.1039/C4MD00119B
NPT2 Others Unspecified IC50 = 5.83 ug/ml 10.1039/C4MD00119B
NPT2 Others Unspecified IC50 = 10.39 ug/ml 10.1039/C4MD00119B
NPT2 Others Unspecified IC50 = 9.78 ug/ml 10.1039/C4MD00119B
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 4 ug/ml 10.1039/C4MD00119B
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 256 ug/ml 10.1039/C4MD00119B
NPT19 Organism Escherichia coli Escherichia coli MIC = 2 ug/ml 10.1039/C4MD00119B
NPT19 Organism Escherichia coli Escherichia coli MIC = 16 ug/ml 10.1039/C4MD00119B
NPT19 Organism Escherichia coli Escherichia coli MIC = 8 ug/ml 10.1039/C4MD00119B
NPT2 Others Unspecified Inhibition = 10 % 26264847
NPT2 Others Unspecified IC50 = 773000 nM 26264847
NPT2 Others Unspecified IC50 = 345000 nM 26264847
NPT2 Others Unspecified IC50 = 543000 nM 26264847
NPT2 Others Unspecified Kd = 138000 nM 26264847
NPT2 Others Unspecified Kd = 44000 nM 26264847
NPT2 Others Unspecified Kd = 91200 nM 26264847
NPT2 Others Unspecified Kd = 133200 nM 26264847
NPT2 Others Unspecified Ratio = 1 26264847
NPT2 Others Unspecified Kd = 167000 nM 26264847
NPT2 Others Unspecified Ratio = 1.2 26264847
NPT2 Others Unspecified Activity = 61 % 26264847
NPT841 Organism Leishmania major Leishmania major IC50 > 100000 nM 26708110
NPT19 Organism Escherichia coli Escherichia coli MIC = 4 ug/ml 10.1039/C5MD00429B
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 2 ug/ml 10.1039/C5MD00429B
NPT173 Organism Klebsiella pneumoniae Klebsiella pneumoniae MIC = 2 ug/ml 10.1039/C5MD00429B
NPT747 Organism Acinetobacter baumannii Acinetobacter baumannii MIC = 4 ug/ml 10.1039/C5MD00429B
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC > 64 ug/ml 10.1039/C5MD00429B
NPT1033 Organism Enterobacter cloacae Enterobacter cloacae MIC > 64 ug/ml 10.1039/C5MD00429B
NPT19 Organism Escherichia coli Escherichia coli MIC > 64 ug/ml 10.1039/C5MD00429B
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 64 ug/ml 10.1039/C5MD00429B
NPT747 Organism Acinetobacter baumannii Acinetobacter baumannii MIC > 64 ug/ml 10.1039/C5MD00429B
NPT19 Organism Escherichia coli Escherichia coli MIC = 8 ug/ml 10.1039/C5MD00429B

  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 NPC195969 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 NPC176381
0.9759 High Similarity NPC214376
0.9759 High Similarity NPC314408
0.9759 High Similarity NPC477060
0.9759 High Similarity NPC123746
0.9759 High Similarity NPC43850
0.9759 High Similarity NPC314007
0.9651 High Similarity NPC315334
0.9639 High Similarity NPC313552
0.9157 High Similarity NPC263058
0.9036 High Similarity NPC315969
0.9 High Similarity NPC330590
0.8617 High Similarity NPC315036
0.8571 High Similarity NPC318258
0.8421 Intermediate Similarity NPC471628
0.8421 Intermediate Similarity NPC56298
0.7864 Intermediate Similarity NPC57436
0.7864 Intermediate Similarity NPC121479
0.7717 Intermediate Similarity NPC306838
0.7624 Intermediate Similarity NPC221148
0.7447 Intermediate Similarity NPC470282
0.7416 Intermediate Similarity NPC316807
0.7349 Intermediate Similarity NPC322801
0.7349 Intermediate Similarity NPC129100
0.7349 Intermediate Similarity NPC291650
0.7333 Intermediate Similarity NPC70574
0.7333 Intermediate Similarity NPC100204
0.7333 Intermediate Similarity NPC83248
0.7315 Intermediate Similarity NPC241597
0.7283 Intermediate Similarity NPC165119
0.7222 Intermediate Similarity NPC98750
0.7174 Intermediate Similarity NPC36927
0.7174 Intermediate Similarity NPC271772
0.7105 Intermediate Similarity NPC94319
0.697 Remote Similarity NPC328646
0.6882 Remote Similarity NPC471420
0.6771 Remote Similarity NPC192025
0.6771 Remote Similarity NPC125253
0.6771 Remote Similarity NPC253975
0.6701 Remote Similarity NPC83839
0.6667 Remote Similarity NPC150557
0.6667 Remote Similarity NPC470284
0.6606 Remote Similarity NPC317534
0.6517 Remote Similarity NPC327486
0.6517 Remote Similarity NPC223174
0.6517 Remote Similarity NPC327753
0.6346 Remote Similarity NPC470283
0.6311 Remote Similarity NPC208537
0.6311 Remote Similarity NPC270005
0.631 Remote Similarity NPC34877
0.631 Remote Similarity NPC290179
0.6293 Remote Similarity NPC313813
0.625 Remote Similarity NPC20035
0.6211 Remote Similarity NPC314772
0.6211 Remote Similarity NPC314968
0.6161 Remote Similarity NPC59589
0.6147 Remote Similarity NPC188453
0.6147 Remote Similarity NPC42320
0.6118 Remote Similarity NPC317023
0.61 Remote Similarity NPC476523
0.6092 Remote Similarity NPC17455
0.6036 Remote Similarity NPC314413
0.6036 Remote Similarity NPC239705
0.6036 Remote Similarity NPC314398
0.6022 Remote Similarity NPC474468
0.6 Remote Similarity NPC244539
0.6 Remote Similarity NPC472025
0.5982 Remote Similarity NPC62845
0.5982 Remote Similarity NPC166242
0.5982 Remote Similarity NPC322449
0.5982 Remote Similarity NPC189854
0.5982 Remote Similarity NPC92874
0.5938 Remote Similarity NPC313762
0.5929 Remote Similarity NPC10897
0.5929 Remote Similarity NPC325900
0.5904 Remote Similarity NPC67660
0.5904 Remote Similarity NPC130683
0.5904 Remote Similarity NPC145112
0.5904 Remote Similarity NPC157514
0.5904 Remote Similarity NPC323361
0.5904 Remote Similarity NPC269166
0.5904 Remote Similarity NPC242073
0.5904 Remote Similarity NPC246558
0.5904 Remote Similarity NPC107914
0.5904 Remote Similarity NPC58629
0.5904 Remote Similarity NPC165198
0.5904 Remote Similarity NPC89145
0.5897 Remote Similarity NPC314306
0.5887 Remote Similarity NPC68327
0.5833 Remote Similarity NPC303727
0.5795 Remote Similarity NPC477757
0.5795 Remote Similarity NPC472026
0.5795 Remote Similarity NPC477755
0.5795 Remote Similarity NPC477763
0.5795 Remote Similarity NPC477750
0.5795 Remote Similarity NPC477762
0.5795 Remote Similarity NPC477753
0.5778 Remote Similarity NPC6848
0.5745 Remote Similarity NPC476694
0.5745 Remote Similarity NPC28959
0.5745 Remote Similarity NPC476695
0.5745 Remote Similarity NPC137554
0.5745 Remote Similarity NPC255535
0.5745 Remote Similarity NPC299603
0.5745 Remote Similarity NPC476696
0.5745 Remote Similarity NPC285014
0.5726 Remote Similarity NPC139857
0.5714 Remote Similarity NPC315980
0.5701 Remote Similarity NPC61894
0.5701 Remote Similarity NPC475603
0.5663 Remote Similarity NPC326533
0.5652 Remote Similarity NPC475918
0.5638 Remote Similarity NPC475694
0.5638 Remote Similarity NPC473710
0.5635 Remote Similarity NPC75839
0.5632 Remote Similarity NPC219040

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC195969 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
1.0 High Similarity NPD5795 Approved
1.0 High Similarity NPD5797 Approved
1.0 High Similarity NPD5794 Approved
1.0 High Similarity NPD5796 Clinical (unspecified phase)
1.0 High Similarity NPD5798 Approved
0.9759 High Similarity NPD3203 Approved
0.9759 High Similarity NPD3207 Approved
0.9759 High Similarity NPD3209 Approved
0.9759 High Similarity NPD2698 Approved
0.9759 High Similarity NPD3201 Approved
0.9759 High Similarity NPD3202 Approved
0.9759 High Similarity NPD3208 Approved
0.9639 High Similarity NPD3200 Clinical (unspecified phase)
0.9 High Similarity NPD5377 Approved
0.9 High Similarity NPD5381 Approved
0.9 High Similarity NPD5378 Approved
0.8602 High Similarity NPD4282 Approved
0.8421 Intermediate Similarity NPD4835 Approved
0.8421 Intermediate Similarity NPD4837 Approved
0.8421 Intermediate Similarity NPD4838 Approved
0.8421 Intermediate Similarity NPD4836 Approved
0.8182 Intermediate Similarity NPD5376 Approved
0.7864 Intermediate Similarity NPD35 Approved
0.7864 Intermediate Similarity NPD4833 Approved
0.7624 Intermediate Similarity NPD1450 Approved
0.7624 Intermediate Similarity NPD1449 Approved
0.7349 Intermediate Similarity NPD9033 Approved
0.7349 Intermediate Similarity NPD9030 Approved
0.7349 Intermediate Similarity NPD9031 Approved
0.7349 Intermediate Similarity NPD9032 Approved
0.7315 Intermediate Similarity NPD3731 Phase 3
0.729 Intermediate Similarity NPD2690 Discontinued
0.7212 Intermediate Similarity NPD2700 Approved
0.72 Intermediate Similarity NPD6428 Approved
0.7182 Intermediate Similarity NPD4832 Approved
0.7182 Intermediate Similarity NPD4831 Approved
0.7182 Intermediate Similarity NPD4830 Approved
0.7105 Intermediate Similarity NPD4826 Approved
0.7105 Intermediate Similarity NPD4828 Approved
0.7105 Intermediate Similarity NPD4827 Approved
0.7045 Intermediate Similarity NPD67 Phase 2
0.7045 Intermediate Similarity NPD9034 Approved
0.6957 Remote Similarity NPD6436 Phase 3
0.6792 Remote Similarity NPD8045 Clinical (unspecified phase)
0.6637 Remote Similarity NPD3204 Clinical (unspecified phase)
0.66 Remote Similarity NPD3716 Discontinued
0.6517 Remote Similarity NPD9445 Approved
0.6486 Remote Similarity NPD6941 Approved
0.6476 Remote Similarity NPD881 Approved
0.6239 Remote Similarity NPD7141 Clinical (unspecified phase)
0.6239 Remote Similarity NPD7140 Approved
0.6239 Remote Similarity NPD7139 Approved
0.6211 Remote Similarity NPD9435 Approved
0.6211 Remote Similarity NPD9434 Approved
0.614 Remote Similarity NPD8087 Discontinued
0.6095 Remote Similarity NPD1447 Phase 3
0.6095 Remote Similarity NPD1446 Phase 3
0.6078 Remote Similarity NPD4759 Clinical (unspecified phase)
0.5977 Remote Similarity NPD6123 Approved
0.5963 Remote Similarity NPD2255 Approved
0.595 Remote Similarity NPD8346 Approved
0.595 Remote Similarity NPD8347 Approved
0.595 Remote Similarity NPD8345 Approved
0.5904 Remote Similarity NPD895 Approved
0.5904 Remote Similarity NPD892 Phase 3
0.5904 Remote Similarity NPD893 Approved
0.5904 Remote Similarity NPD887 Approved
0.5904 Remote Similarity NPD890 Clinical (unspecified phase)
0.5904 Remote Similarity NPD891 Phase 3
0.5904 Remote Similarity NPD889 Approved
0.5904 Remote Similarity NPD894 Approved
0.5904 Remote Similarity NPD888 Phase 3
0.5897 Remote Similarity NPD6430 Approved
0.5897 Remote Similarity NPD6429 Approved
0.5826 Remote Similarity NPD8174 Phase 2
0.5783 Remote Similarity NPD2269 Approved
0.5778 Remote Similarity NPD1457 Discontinued
0.5773 Remote Similarity NPD372 Clinical (unspecified phase)
0.576 Remote Similarity NPD591 Approved
0.576 Remote Similarity NPD577 Phase 3
0.5739 Remote Similarity NPD8307 Discontinued
0.5728 Remote Similarity NPD394 Phase 3
0.5663 Remote Similarity NPD905 Approved
0.5663 Remote Similarity NPD904 Phase 3
0.5631 Remote Similarity NPD361 Discontinued
0.5625 Remote Similarity NPD389 Phase 3
0.5603 Remote Similarity NPD8140 Approved

Structure

External Identifiers

PubChem CID   165580
ChEMBL   CHEMBL370143
ZINC  

Physicochemical Properties

Molecular Weight:  615.30
ALogP:  -9.0195
MLogP:  1.9
XLogP:  -6.847
# Rotatable Bonds:  22
Polar Surface Area:  347.32
# H-Bond Aceptor:  19
# H-Bond Donor:  13
# Rings:  4
# Heavy Atoms:  42

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