Natural Product: NPC21448

Natural Product ID:  NPC21448
Common Name:   Vidarabine
IUPAC Name:   (2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Synonyms:   ARA-A; Arabinosyladenine; CI-673; Vidarabine; Vira-A
Molecular Formula:   C10H13N5O4
Standard InCHIKey:  OIRDTQYFTABQOQ-UHTZMRCNSA-N
Standard InCHI:  InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1cnc2c1ncnc2N
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
NPO485.1 Streptomyces herbaceus am-3279 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO23175 Streptomyces antibioticus Species Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT32 Organism Mus musculus Mus musculus MIC = 2.1 ug/ml 7097716
NPT32 Organism Mus musculus Mus musculus MIC = 19.2 ug/ml 7097716
NPT1386 Protein Family Adrenergic receptor beta Homo sapiens Activity = -2.58 10.1016/S0960-894X(97)00046-2
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 IC50 = 39 ug/ml 2838633
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 IC50 = 5.6 ug/ml 2838633
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 Therapeutic index = 7 2838633
NPT1747 Individual Protein Adenylate cyclase type V Rattus norvegicus IC50 = 82000 nM 14971900
NPT189 Cell Line Vero Chlorocebus aethiops TD50 = 10 ug/ml 2213836
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 ED50 = 10 ug/ml 2213836
NPT334 Organism Vaccinia virus Vaccinia virus ED50 = 16 ug/ml 2213836
NPT1748 Organism African swine fever virus African swine fever virus ED50 = 40 ug/ml 2213836
NPT195 Organism Vesicular stomatitis virus Vesicular stomatitis virus ED50 > 10 ug/ml 2213836
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 ED50 = 17.1 ug/ml 9216836
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 ED50 = 6.6 ug/ml 9216836
NPT1749 Organism Human herpesvirus 3 Human herpesvirus 3 ED50 = 1.17 ug/ml 9216836
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 ED50 = 6.45 ug/ml 9216836
NPT1353 Cell Line CCRF-HSB-2 Homo sapiens IC50 = 12.9 ug/ml 9216836
NPT137 Cell Line L1210 Mus musculus IC50 = 14200 nM 10.1016/S0960-894X(97)00044-9
NPT2 Others Unspecified IC50 = 11900 nM 10.1016/S0960-894X(97)00044-9
NPT2 Others Unspecified IC50 = 24800 nM 10.1016/S0960-894X(97)00044-9
NPT1751 Individual Protein Adenosylhomocysteinase Mus musculus Ki = 30000 nM 1995889
NPT1753 Organism Moloney murine leukemia virus Moloney murine leukemia virus IC50 = 1 ug/ml 1995889
NPT168 Cell Line P388 Mus musculus ID50 = 16.8 nM 2066996
NPT137 Cell Line L1210 Mus musculus ID50 = 21.7 nM 2066996
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 ED50 > 125 mg/kg/day 2329551
NPT32 Organism Mus musculus Mus musculus Survival = 10 % 6265636
NPT32 Organism Mus musculus Mus musculus Survival = 60 % 6265636
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 MIC50 = 9.8 ug/ml 2822928
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 MIC50 = 30 ug/ml 2822928
NPT189 Cell Line Vero Chlorocebus aethiops ID50 = 4.8 ug/ml 2157013
NPT189 Cell Line Vero Chlorocebus aethiops Therapeutic index = 5.6 2157013
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 MIC50 = 6.4 ug/ml 6092635
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 MIC50 = 6.4 ug/ml 6092635
NPT189 Cell Line Vero Chlorocebus aethiops MIC50 = 26.8 ug/ml 3033247
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 MIC50 = 9.8 ug/ml 6298423
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 MIC50 = 20.1 ug/ml 6298423
NPT1756 Cell Line PRK IC50 = 7 ug/ml 6267280
NPT1756 Cell Line PRK IC50 = 3 ug/ml 6267280
NPT1756 Cell Line PRK IC50 = 10 ug/ml 6267280
NPT1756 Cell Line PRK IC50 = 0.4 ug/ml 6267280
NPT1756 Cell Line PRK IC50 = 20 ug/ml 6267280
NPT1756 Cell Line PRK IC50 = 4 ug/ml 6267280
NPT1756 Cell Line PRK IC50 = 1 ug/ml 6267280
NPT137 Cell Line L1210 Mus musculus IC50 = 14200 nM 9871764
NPT112 Cell Line MOLT-4 Homo sapiens IC50 = 11900 nM 9871764
NPT404 Cell Line CCRF-CEM Homo sapiens IC50 = 24800 nM 9871764
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 ID50 = 13.6 ug/ml 3411597
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 ID50 = 2.1 ug/ml 3411597
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 ID50 = 1.9 ug/ml 3411597
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 ID50 = 49.9 ug/ml 3411597
NPT334 Organism Vaccinia virus Vaccinia virus ID50 = 9.8 ug/ml 3411597
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 MIC50 = 15 ug/ml 3035178
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 MIC50 = 18 ug/ml 3035178
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 MIC50 = 34 ug/ml 3035178
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 MIC50 = 6 ug/ml 3035178
NPT1757 Organism unidentified influenza virus unidentified influenza virus MIC50 = 56 ug/ml 3035178
NPT2 Others Unspecified Ratio = 0.63 3035178
NPT2 Others Unspecified Ratio = 1.3 3035178
NPT2 Others Unspecified Ratio = 1.5 3035178
NPT2 Others Unspecified Ratio = 0.95 3035178
NPT2 Others Unspecified Ratio = 1.44 3035178
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 ID50 = 0.011 nM 2521518
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 ID50 = 0.075 nM 2521518
NPT189 Cell Line Vero Chlorocebus aethiops MIC50 = 18 ug/ml 3001308
NPT189 Cell Line Vero Chlorocebus aethiops MIC50 = 70000 nM 3001308
NPT189 Cell Line Vero Chlorocebus aethiops MIC50 = 22 ug/ml 3001308
NPT189 Cell Line Vero Chlorocebus aethiops MIC50 = 80000 nM 3001308
NPT189 Cell Line Vero Chlorocebus aethiops MIC50 = 15 ug/ml 3001308
NPT189 Cell Line Vero Chlorocebus aethiops MIC50 = 60000 nM 3001308
NPT189 Cell Line Vero Chlorocebus aethiops MIC50 = 45 ug/ml 3001308
NPT189 Cell Line Vero Chlorocebus aethiops MIC50 = 170000 nM 3001308
NPT189 Cell Line Vero Chlorocebus aethiops MIC50 = 5 ug/ml 3001308
NPT189 Cell Line Vero Chlorocebus aethiops MIC50 = 20000 nM 3001308
NPT189 Cell Line Vero Chlorocebus aethiops MIC50 = 24 ug/ml 3001308
NPT189 Cell Line Vero Chlorocebus aethiops MIC50 = 90000 nM 3001308
NPT1758 Individual Protein Hepatitis C virus NS5B RNA-dependent RNA polymerase Hepatitis C virus IC50 = 50000 nM 15084127
NPT1758 Individual Protein Hepatitis C virus NS5B RNA-dependent RNA polymerase Hepatitis C virus EC50 > 50000 nM 15084127
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 MIC50 = 9.5 ug/ml 6321734
NPT32 Organism Mus musculus Mus musculus LD50 > 750 mg/kg 3950905
NPT1171 Cell Line HEp-2 Homo sapiens MIC = 10 ug/ml 6325694
NPT334 Organism Vaccinia virus Vaccinia virus ID50 = 2 ug/ml 2544721
NPT334 Organism Vaccinia virus Vaccinia virus ID50 = 1 ug/ml 2544721
NPT334 Organism Vaccinia virus Vaccinia virus ID50 = 1.8 ug/ml 2544721
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 MIC = 10 ug/ml 4067994
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 MIC = 10 ug/ml 4067994
NPT137 Cell Line L1210 Mus musculus ID50 = 21 ug/ml 2459384
NPT1759 Cell Line FM3A Mus musculus ID50 = 21.1 ug/ml 2459384
NPT605 Organism Homo sapiens Homo sapiens ID50 = 25.9 ug/ml 2459384
NPT2 Others Unspecified ID50 = 16.7 ug/ml 2459384
NPT419 Organism Oryctolagus cuniculus Oryctolagus cuniculus MIC = 20 ug/ml 2459384
NPT419 Organism Oryctolagus cuniculus Oryctolagus cuniculus MIC = 7 ug/ml 2459384
NPT419 Organism Oryctolagus cuniculus Oryctolagus cuniculus MIC = 10 ug/ml 2459384
NPT419 Organism Oryctolagus cuniculus Oryctolagus cuniculus MIC = 2 ug/ml 2459384
NPT189 Cell Line Vero Chlorocebus aethiops MIC = 70 ug/ml 2459384
NPT165 Cell Line HeLa Homo sapiens MIC = 20 ug/ml 2459384
NPT605 Organism Homo sapiens Homo sapiens MIC = 7 ug/ml 2459384
NPT165 Cell Line HeLa Homo sapiens ID50 = 0.046 nM 3339608
NPT165 Cell Line HeLa Homo sapiens ID50 = 27.7 nM 3339608
NPT91 Cell Line KB Homo sapiens ID50 = 89.8 nM 3339608
NPT91 Cell Line KB Homo sapiens ID50 = 25.4 nM 3339608
NPT168 Cell Line P388 Mus musculus ID50 = 12.7 nM 3339608
NPT168 Cell Line P388 Mus musculus ID50 = 10.8 nM 3339608
NPT137 Cell Line L1210 Mus musculus ID50 = 23.6 nM 3339608
NPT116 Cell Line HL-60 Homo sapiens IC50 = 20.9 ug/ml 9371251
NPT1761 Cell Line Erythroleukemia cell line ID50 = 0.094 nM 3862866
NPT1761 Cell Line Erythroleukemia cell line ID50 = 0.003 nM 3862866
NPT1762 Organism Macacine herpesvirus 1 Macacine herpesvirus 1 EC50 = 28000 nM 17438061
NPT1762 Organism Macacine herpesvirus 1 Macacine herpesvirus 1 EC50 = 35000 nM 17438061
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 EC50 = 7000 nM 17438061
NPT189 Cell Line Vero Chlorocebus aethiops CC50 = 38000 nM 17438061
NPT334 Organism Vaccinia virus Vaccinia virus EC50 = 6200 nM 19097789
NPT1764 Organism Cowpox virus Cowpox virus EC50 = 12600 nM 19097789
NPT334 Organism Vaccinia virus Vaccinia virus EC50 = 1000 nM 19097789
NPT1764 Organism Cowpox virus Cowpox virus EC50 = 1400 nM 19097789
NPT859 Cell Line HFF Homo sapiens CC50 > 100000 nM 19097789
NPT859 Cell Line HFF Homo sapiens CC50 = 90000 nM 19097789
NPT1766 Organism Human herpesvirus 1 strain KOS Human herpesvirus 1 strain KOS EC50 = 35000 nM 20000418
NPT1766 Organism Human herpesvirus 1 strain KOS Human herpesvirus 1 strain KOS EC50 = 42000 nM 20000418
NPT334 Organism Vaccinia virus Vaccinia virus EC50 = 8300 nM 20000418
NPT334 Organism Vaccinia virus Vaccinia virus EC50 = 10000 nM 20000418
NPT2 Others Unspecified Inhibition = 50 % 20000418
NPT1592 Individual Protein Dipeptidyl peptidase IV Homo sapiens IC50 = 62 nM 20000418
NPT1762 Organism Macacine herpesvirus 1 Macacine herpesvirus 1 EC50 = 26500 nM 19858259
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 EC50 = 26500 nM 19858259
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 EC50 = 26500 nM 19858259
NPT1762 Organism Macacine herpesvirus 1 Macacine herpesvirus 1 EC50 = 37800 nM 19858259
NPT1762 Organism Macacine herpesvirus 1 Macacine herpesvirus 1 EC50 = 46100 nM 19858259
NPT2 Others Unspecified Inhibition = 40 % 18026094
NPT1768 Organism Vaccinia virus Copenhagen Vaccinia virus Copenhagen IC50 = 2000 nM 21641218
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 89125.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 12589.3 nM PubChem BioAssay data set
NPT1019 Organism Trichomonas vaginalis Trichomonas vaginalis IC50 = 3600 nM 22579483
NPT1019 Organism Trichomonas vaginalis Trichomonas vaginalis GI = 100 % 22579483
NPT10 Individual Protein Geminin Homo sapiens Potency 7307.8 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 1995.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 366.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 461.1 nM PubChem BioAssay data set
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 103.09 % 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 90.86 % 23571415
NPT471 Organism Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 > 100000 nM 24283924
NPT2 Others Unspecified Potency 28183.8 nM PubChem BioAssay data set
NPT168 Cell Line P388 Mus musculus LD50 = 0.0001 nM 191615
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 MIC = 12 ug/ml 195055
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 MIC = 12 ug/ml 195055
NPT334 Organism Vaccinia virus Vaccinia virus ID50 = 2.6 nM 195058
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 ID50 = 3.7 nM 195058
NPT334 Organism Vaccinia virus Vaccinia virus ID50 = 1.4 10'-6M 195058
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 ID50 = 1.5 nM 195058
NPT334 Organism Vaccinia virus Vaccinia virus MIC = 1400 nM 202709
NPT334 Organism Vaccinia virus Vaccinia virus MIC = 26000 nM 202709
NPT1766 Organism Human herpesvirus 1 strain KOS Human herpesvirus 1 strain KOS MIC = 14000 nM 202709
NPT1766 Organism Human herpesvirus 1 strain KOS Human herpesvirus 1 strain KOS MIC = 3500 nM 202709
NPT2 Others Unspecified Activity = 71 % 209191
NPT2 Others Unspecified Activity = 94 % 209191
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 Activity = 100 % 722731
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 Activity = 54 % 722731
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 Activity = 0 % 722731
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 Activity = 63 % 722731
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 Activity = 69 % 722731
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 Activity = 64 % 722731
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 MIC = 3.2 ug/ml 184282
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 MIC = 12 ug/ml 195054
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 MIC = 12 ug/ml 195054

  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 NPC21448 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 NPC107374
1.0 High Similarity NPC156461
0.9925 High Similarity NPC189068
0.9925 High Similarity NPC164665
0.9851 High Similarity NPC219313
0.9851 High Similarity NPC269827
0.9851 High Similarity NPC309832
0.9848 High Similarity NPC229974
0.9697 High Similarity NPC209525
0.9697 High Similarity NPC161659
0.9565 High Similarity NPC211025
0.9565 High Similarity NPC185991
0.9565 High Similarity NPC85689
0.9552 High Similarity NPC314152
0.9549 High Similarity NPC317821
0.9496 High Similarity NPC321814
0.9496 High Similarity NPC472816
0.9429 High Similarity NPC212551
0.9429 High Similarity NPC130586
0.9429 High Similarity NPC302778
0.9429 High Similarity NPC164952
0.9362 High Similarity NPC174802
0.9348 High Similarity NPC121222
0.9296 High Similarity NPC224076
0.9231 High Similarity NPC226245
0.9231 High Similarity NPC316618
0.9231 High Similarity NPC239737
0.922 High Similarity NPC207633
0.9185 High Similarity NPC129756
0.9149 High Similarity NPC161224
0.9078 High Similarity NPC150853
0.9007 High Similarity NPC136349
0.8966 High Similarity NPC311197
0.8966 High Similarity NPC54320
0.8966 High Similarity NPC313754
0.8919 High Similarity NPC323091
0.8897 High Similarity NPC52238
0.8832 High Similarity NPC33996
0.8824 High Similarity NPC320818
0.8819 High Similarity NPC328479
0.8553 High Similarity NPC261595
0.8523 High Similarity NPC195140
0.8497 Intermediate Similarity NPC324033
0.8497 Intermediate Similarity NPC321458
0.8462 Intermediate Similarity NPC326529
0.8456 Intermediate Similarity NPC93365
0.8408 Intermediate Similarity NPC319100
0.8408 Intermediate Similarity NPC189261
0.8408 Intermediate Similarity NPC324198
0.8366 Intermediate Similarity NPC324484
0.8323 Intermediate Similarity NPC326082
0.8323 Intermediate Similarity NPC290959
0.8312 Intermediate Similarity NPC325906
0.8286 Intermediate Similarity NPC61198
0.8214 Intermediate Similarity NPC262926
0.8067 Intermediate Similarity NPC321052
0.8042 Intermediate Similarity NPC30326
0.8014 Intermediate Similarity NPC319221
0.8 Intermediate Similarity NPC313897
0.7959 Intermediate Similarity NPC274384
0.7959 Intermediate Similarity NPC89147
0.7943 Intermediate Similarity NPC324009
0.7891 Intermediate Similarity NPC251233
0.7891 Intermediate Similarity NPC211820
0.7877 Intermediate Similarity NPC186619
0.7838 Intermediate Similarity NPC177169
0.7785 Intermediate Similarity NPC64705
0.7785 Intermediate Similarity NPC232408
0.7771 Intermediate Similarity NPC24589
0.777 Intermediate Similarity NPC318590
0.7738 Intermediate Similarity NPC78941
0.7738 Intermediate Similarity NPC282458
0.7718 Intermediate Similarity NPC317746
0.7703 Intermediate Similarity NPC74306
0.7703 Intermediate Similarity NPC315642
0.7697 Intermediate Similarity NPC326694
0.7529 Intermediate Similarity NPC313514
0.7516 Intermediate Similarity NPC33382
0.7469 Intermediate Similarity NPC125659
0.7469 Intermediate Similarity NPC168702
0.7378 Intermediate Similarity NPC222174
0.7329 Intermediate Similarity NPC14590
0.7267 Intermediate Similarity NPC321393
0.7222 Intermediate Similarity NPC276373
0.7214 Intermediate Similarity NPC327579
0.7182 Intermediate Similarity NPC5802
0.7143 Intermediate Similarity NPC157821
0.7015 Intermediate Similarity NPC476564
0.698 Remote Similarity NPC57279
0.6959 Remote Similarity NPC104011
0.6959 Remote Similarity NPC246193
0.6917 Remote Similarity NPC87981
0.6917 Remote Similarity NPC174114
0.6849 Remote Similarity NPC248007
0.6804 Remote Similarity NPC250178
0.6763 Remote Similarity NPC312187
0.6763 Remote Similarity NPC4837
0.6644 Remote Similarity NPC139776
0.6623 Remote Similarity NPC287876
0.6596 Remote Similarity NPC103388
0.6567 Remote Similarity NPC107160
0.6556 Remote Similarity NPC14330
0.6522 Remote Similarity NPC18335
0.6471 Remote Similarity NPC21461
0.6471 Remote Similarity NPC160666
0.6446 Remote Similarity NPC472834
0.6377 Remote Similarity NPC158055
0.6333 Remote Similarity NPC109322
0.6259 Remote Similarity NPC68938
0.6164 Remote Similarity NPC313547
0.6159 Remote Similarity NPC5707
0.6145 Remote Similarity NPC164845
0.6135 Remote Similarity NPC217656
0.6098 Remote Similarity NPC89139
0.6087 Remote Similarity NPC296437
0.6078 Remote Similarity NPC180493
0.6049 Remote Similarity NPC470266
0.604 Remote Similarity NPC189314
0.6028 Remote Similarity NPC476561
0.5988 Remote Similarity NPC244700
0.5976 Remote Similarity NPC476528
0.5976 Remote Similarity NPC476433
0.5939 Remote Similarity NPC476520
0.5939 Remote Similarity NPC476522
0.5939 Remote Similarity NPC474986
0.5939 Remote Similarity NPC476013
0.593 Remote Similarity NPC472833
0.5928 Remote Similarity NPC476408
0.5914 Remote Similarity NPC265111
0.5904 Remote Similarity NPC476521
0.5903 Remote Similarity NPC119133
0.587 Remote Similarity NPC473585
0.5833 Remote Similarity NPC476099
0.5829 Remote Similarity NPC18308
0.5829 Remote Similarity NPC472832
0.5796 Remote Similarity NPC180462
0.5775 Remote Similarity NPC293163
0.5764 Remote Similarity NPC59314
0.5724 Remote Similarity NPC476562
0.5697 Remote Similarity NPC210947
0.5695 Remote Similarity NPC63433
0.5667 Remote Similarity NPC41958
0.5667 Remote Similarity NPC256849
0.5655 Remote Similarity NPC10466
0.5638 Remote Similarity NPC47936
0.5621 Remote Similarity NPC174020
0.561 Remote Similarity NPC470140
0.5602 Remote Similarity NPC470139
0.56 Remote Similarity NPC60537

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC21448 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 NPD249 Approved
1.0 High Similarity NPD250 Approved
0.9851 High Similarity NPD195 Approved
0.9851 High Similarity NPD186 Discovery
0.9565 High Similarity NPD283 Approved
0.9552 High Similarity NPD185 Approved
0.9429 High Similarity NPD338 Approved
0.9429 High Similarity NPD3107 Discontinued
0.9429 High Similarity NPD242 Approved
0.9429 High Similarity NPD1369 Phase 2
0.9429 High Similarity NPD1750 Clinical (unspecified phase)
0.9412 High Similarity NPD166 Approved
0.9403 High Similarity NPD193 Suspended
0.9362 High Similarity NPD339 Approved
0.9296 High Similarity NPD169 Phase 2
0.9231 High Similarity NPD1732 Phase 3
0.9231 High Similarity NPD2646 Discontinued
0.9231 High Similarity NPD2624 Phase 2
0.9007 High Similarity NPD548 Clinical (unspecified phase)
0.8966 High Similarity NPD219 Phase 3
0.8966 High Similarity NPD216 Approved
0.8966 High Similarity NPD218 Approved
0.8966 High Similarity NPD220 Clinical (unspecified phase)
0.8966 High Similarity NPD217 Approved
0.8759 High Similarity NPD213 Clinical (unspecified phase)
0.8759 High Similarity NPD214 Approved
0.8742 High Similarity NPD2647 Phase 3
0.8593 High Similarity NPD248 Discontinued
0.8553 High Similarity NPD247 Clinical (unspecified phase)
0.8462 Intermediate Similarity NPD5666 Phase 2
0.8456 Intermediate Similarity NPD546 Clinical (unspecified phase)
0.8456 Intermediate Similarity NPD9632 Phase 3
0.8431 Intermediate Similarity NPD7988 Suspended
0.8408 Intermediate Similarity NPD4171 Clinical (unspecified phase)
0.8354 Intermediate Similarity NPD1412 Clinical (unspecified phase)
0.8312 Intermediate Similarity NPD1776 Approved
0.8312 Intermediate Similarity NPD1777 Approved
0.8309 Intermediate Similarity NPD870 Clinical (unspecified phase)
0.8286 Intermediate Similarity NPD252 Clinical (unspecified phase)
0.825 Intermediate Similarity NPD4716 Approved
0.8235 Intermediate Similarity NPD3083 Approved
0.8199 Intermediate Similarity NPD4744 Clinical (unspecified phase)
0.8098 Intermediate Similarity NPD1692 Approved
0.8056 Intermediate Similarity NPD549 Approved
0.8052 Intermediate Similarity NPD516 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD5682 Phase 3
0.8 Intermediate Similarity NPD5684 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD6417 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD5683 Clinical (unspecified phase)
0.7958 Intermediate Similarity NPD194 Clinical (unspecified phase)
0.7904 Intermediate Similarity NPD2631 Clinical (unspecified phase)
0.7904 Intermediate Similarity NPD2632 Approved
0.7904 Intermediate Similarity NPD2630 Approved
0.7857 Intermediate Similarity NPD9633 Phase 3
0.7829 Intermediate Similarity NPD536 Clinical (unspecified phase)
0.777 Intermediate Similarity NPD9408 Phase 3
0.7718 Intermediate Similarity NPD7158 Phase 1
0.7703 Intermediate Similarity NPD582 Approved
0.7582 Intermediate Similarity NPD3708 Phase 2
0.7529 Intermediate Similarity NPD7138 Phase 2
0.7468 Intermediate Similarity NPD4074 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD3085 Phase 1
0.7419 Intermediate Similarity NPD3086 Phase 3
0.7372 Intermediate Similarity NPD231 Clinical (unspecified phase)
0.7293 Intermediate Similarity NPD2965 Clinical (unspecified phase)
0.7266 Intermediate Similarity NPD9606 Approved
0.7261 Intermediate Similarity NPD9605 Phase 3
0.7253 Intermediate Similarity NPD2876 Phase 3
0.7253 Intermediate Similarity NPD2877 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD4054 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD3696 Approved
0.7219 Intermediate Similarity NPD3695 Approved
0.7214 Intermediate Similarity NPD9607 Approved
0.7174 Intermediate Similarity NPD2824 Phase 2
0.7118 Intermediate Similarity NPD1046 Clinical (unspecified phase)
0.7047 Intermediate Similarity NPD209 Clinical (unspecified phase)
0.7032 Intermediate Similarity NPD171 Discontinued
0.7021 Intermediate Similarity NPD2903 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD2902 Phase 2
0.698 Remote Similarity NPD545 Clinical (unspecified phase)
0.6929 Remote Similarity NPD9374 Approved
0.6915 Remote Similarity NPD4495 Phase 1
0.6906 Remote Similarity NPD9373 Approved
0.6879 Remote Similarity NPD1730 Discontinued
0.6875 Remote Similarity NPD1063 Phase 2
0.6875 Remote Similarity NPD353 Discontinued
0.6867 Remote Similarity NPD527 Clinical (unspecified phase)
0.6867 Remote Similarity NPD547 Clinical (unspecified phase)
0.6859 Remote Similarity NPD4240 Approved
0.6853 Remote Similarity NPD307 Approved
0.6849 Remote Similarity NPD9084 Phase 2
0.68 Remote Similarity NPD282 Approved
0.6776 Remote Similarity NPD1119 Phase 2
0.6687 Remote Similarity NPD775 Approved
0.6624 Remote Similarity NPD1430 Approved
0.6624 Remote Similarity NPD1431 Approved
0.6624 Remote Similarity NPD2253 Discontinued
0.6623 Remote Similarity NPD8829 Clinical (unspecified phase)
0.6615 Remote Similarity NPD5080 Phase 2
0.6611 Remote Similarity NPD2152 Clinical (unspecified phase)
0.6601 Remote Similarity NPD1058 Discontinued
0.6601 Remote Similarity NPD9083 Clinical (unspecified phase)
0.6573 Remote Similarity NPD9584 Phase 2
0.6564 Remote Similarity NPD5079 Phase 2
0.6522 Remote Similarity NPD7531 Clinical (unspecified phase)
0.6522 Remote Similarity NPD8836 Approved
0.6519 Remote Similarity NPD207 Discontinued
0.649 Remote Similarity NPD1128 Approved
0.649 Remote Similarity NPD1127 Approved
0.6489 Remote Similarity NPD4458 Phase 2
0.6489 Remote Similarity NPD4459 Clinical (unspecified phase)
0.6467 Remote Similarity NPD281 Approved
0.6463 Remote Similarity NPD9409 Discontinued
0.6433 Remote Similarity NPD799 Phase 1
0.6433 Remote Similarity NPD1808 Phase 1
0.6383 Remote Similarity NPD9417 Phase 3
0.6383 Remote Similarity NPD9416 Phase 3
0.6377 Remote Similarity NPD6840 Approved
0.6369 Remote Similarity NPD6112 Approved
0.6364 Remote Similarity NPD9375 Discontinued
0.6352 Remote Similarity NPD1118 Discontinued
0.6333 Remote Similarity NPD798 Discontinued
0.6306 Remote Similarity NPD1121 Approved
0.6306 Remote Similarity NPD535 Approved
0.6306 Remote Similarity NPD1120 Approved
0.6286 Remote Similarity NPD9626 Clinical (unspecified phase)
0.6242 Remote Similarity NPD9484 Clinical (unspecified phase)
0.6221 Remote Similarity NPD2593 Clinical (unspecified phase)
0.6209 Remote Similarity NPD515 Phase 1
0.6198 Remote Similarity NPD5486 Discontinued
0.6197 Remote Similarity NPD1816 Clinical (unspecified phase)
0.6173 Remote Similarity NPD1117 Clinical (unspecified phase)
0.6159 Remote Similarity NPD8830 Phase 3
0.6143 Remote Similarity NPD7502 Clinical (unspecified phase)
0.6122 Remote Similarity NPD9406 Approved
0.6105 Remote Similarity NPD691 Discontinued
0.6103 Remote Similarity NPD5458 Discontinued
0.6083 Remote Similarity NPD8250 Phase 2
0.6078 Remote Similarity NPD78 Approved
0.6078 Remote Similarity NPD9544 Approved
0.6071 Remote Similarity NPD7842 Phase 2
0.604 Remote Similarity NPD8831 Approved
0.604 Remote Similarity NPD8833 Approved
0.6014 Remote Similarity NPD757 Phase 3
0.6 Remote Similarity NPD9360 Approved
0.599 Remote Similarity NPD796 Phase 2
0.5933 Remote Similarity NPD1368 Approved
0.5903 Remote Similarity NPD9291 Approved
0.5902 Remote Similarity NPD534 Phase 2
0.5902 Remote Similarity NPD537 Phase 2
0.5897 Remote Similarity NPD1085 Approved
0.5897 Remote Similarity NPD1775 Approved
0.5896 Remote Similarity NPD5627 Approved
0.5894 Remote Similarity NPD237 Clinical (unspecified phase)
0.5882 Remote Similarity NPD2221 Clinical (unspecified phase)
0.5876 Remote Similarity NPD5665 Clinical (unspecified phase)
0.5852 Remote Similarity NPD5768 Phase 2
0.5843 Remote Similarity NPD9704 Approved
0.5838 Remote Similarity NPD1017 Clinical (unspecified phase)
0.5833 Remote Similarity NPD3849 Clinical (unspecified phase)
0.5825 Remote Similarity NPD4555 Clinical (unspecified phase)
0.5798 Remote Similarity NPD3913 Clinical (unspecified phase)
0.5789 Remote Similarity NPD578 Discontinued
0.5769 Remote Similarity NPD6381 Phase 2
0.5765 Remote Similarity NPD4599 Clinical (unspecified phase)
0.5764 Remote Similarity NPD8837 Clinical (unspecified phase)
0.5759 Remote Similarity NPD1356 Approved
0.5759 Remote Similarity NPD1354 Approved
0.5759 Remote Similarity NPD1355 Clinical (unspecified phase)
0.5752 Remote Similarity NPD580 Discontinued
0.5714 Remote Similarity NPD3697 Discontinued
0.5696 Remote Similarity NPD9366 Approved
0.5695 Remote Similarity NPD5171 Clinical (unspecified phase)
0.5691 Remote Similarity NPD9582 Phase 3
0.569 Remote Similarity NPD6023 Discontinued
0.5683 Remote Similarity NPD4089 Clinical (unspecified phase)
0.5678 Remote Similarity NPD34 Approved
0.5678 Remote Similarity NPD4715 Clinical (unspecified phase)
0.5678 Remote Similarity NPD4713 Clinical (unspecified phase)
0.5678 Remote Similarity NPD4714 Approved
0.5676 Remote Similarity NPD613 Phase 2
0.5671 Remote Similarity NPD9550 Approved
0.5671 Remote Similarity NPD9551 Approved
0.5669 Remote Similarity NPD579 Clinical (unspecified phase)
0.5667 Remote Similarity NPD9358 Approved
0.5667 Remote Similarity NPD9359 Approved
0.5646 Remote Similarity NPD245 Suspended
0.5632 Remote Similarity NPD2591 Phase 2
0.5632 Remote Similarity NPD1731 Clinical (unspecified phase)
0.5632 Remote Similarity NPD5757 Discontinued
0.5625 Remote Similarity NPD5336 Phase 1
0.5625 Remote Similarity NPD5337 Phase 1
0.5622 Remote Similarity NPD7323 Phase 2
0.5613 Remote Similarity NPD9290 Approved
0.5608 Remote Similarity NPD2457 Phase 2
0.5608 Remote Similarity NPD2456 Phase 2
0.56 Remote Similarity NPD2180 Approved

Structure

External Identifiers

PubChem CID   21704
ChEMBL   CHEMBL1090
ZINC  

Physicochemical Properties

Molecular Weight:  267.10
ALogP:  -2.2791
MLogP:  1.57
XLogP:  -1.809
# Rotatable Bonds:  6
Polar Surface Area:  139.54
# H-Bond Aceptor:  9
# H-Bond Donor:  4
# Rings:  3
# Heavy Atoms:  19

Download Data

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