Natural Product: NPC125659

Natural Product ID:  NPC125659
Common Name:   Tubercidin
IUPAC Name:   (2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Synonyms:   Tubercidin
Molecular Formula:   C11H14N4O4
Standard InCHIKey:  HDZZVAMISRMYHH-KCGFPETGSA-N
Standard InCHI:  InChI=1S/C11H14N4O4/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11/h1-2,4,6-8,11,16-18H,3H2,(H2,12,13,14)/t6-,7-,8-,11-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc2c1ncnc2N
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
NPO2221 Lophozia lycopodioides Species Scapaniaceae Eukaryota UNPD*
NPO12856 Kadsura induta Species Schisandraceae Eukaryota UNPD*
NPO13391 Streptomyces hygroscopicus Species Streptomycetaceae Bacteria StreptomeDB*
NPO6258 Streptomyces tubercidicus Species Streptomycetaceae Bacteria StreptomeDB*
NPO10847 Randia longiflora Species Rubiaceae Eukaryota UNPD*
NPO408 Garcinia dioica Species Clusiaceae Eukaryota UNPD*
NPO7585 Narvalina domingensis Species Asteraceae Eukaryota UNPD*
NPO12969 Phyllosticta hydrangeae Species Phyllostictaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT195 Organism Vesicular stomatitis virus Vesicular stomatitis virus MIC = 0.007 ug/ml 6699874
NPT335 Organism Human coxsackievirus B4 Human coxsackievirus B4 MIC = 0.2 ug/ml 6699874
NPT1106 Organism Human poliovirus 1 Human poliovirus 1 MIC = 0.007 ug/ml 6699874
NPT2602 Organism Mammalian orthoreovirus 1 Mammalian orthoreovirus 1 MIC = 0.07 ug/ml 6699874
NPT336 Organism Human parainfluenza virus 3 Human parainfluenza virus 3 MIC = 0.07 ug/ml 6699874
NPT338 Organism Sindbis virus Sindbis virus MIC = 0.2 ug/ml 6699874
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 MIC = 0.07 ug/ml 6699874
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 MIC = 0.2 ug/ml 6699874
NPT334 Organism Vaccinia virus Vaccinia virus MIC = 0.02 ug/ml 6699874
NPT137 Cell Line L1210 Mus musculus ID50 = 0.04 ug/ml 6699874
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 MIC50 = 0.1 ug/ml 3820218
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 MIC50 = 0.1 ug/ml 3820218
NPT334 Organism Vaccinia virus Vaccinia virus MIC50 = 0.007 ug/ml 3820218
NPT195 Organism Vesicular stomatitis virus Vesicular stomatitis virus MIC50 = 0.02 ug/ml 3820218
NPT195 Organism Vesicular stomatitis virus Vesicular stomatitis virus MIC50 = 0.01 ug/ml 3820218
NPT335 Organism Human coxsackievirus B4 Human coxsackievirus B4 MIC50 = 0.07 ug/ml 3820218
NPT1106 Organism Human poliovirus 1 Human poliovirus 1 MIC50 = 0.02 ug/ml 3820218
NPT2602 Organism Mammalian orthoreovirus 1 Mammalian orthoreovirus 1 MIC50 = 0.04 ug/ml 3820218
NPT336 Organism Human parainfluenza virus 3 Human parainfluenza virus 3 MIC50 = 0.07 ug/ml 3820218
NPT338 Organism Sindbis virus Sindbis virus MIC50 = 0.2 ug/ml 3820218
NPT1049 Organism Measles virus Measles virus MIC50 = 0.3 ug/ml 3820218
NPT137 Cell Line L1210 Mus musculus MIC50 = 0.04 ug/ml 3820218
NPT137 Cell Line L1210 Mus musculus MIC50 = 5.4 ug/ml 3820218
NPT137 Cell Line L1210 Mus musculus MIC50 = 0.29 ug/ml 3820218
NPT137 Cell Line L1210 Mus musculus MIC50 = 0.173 ug/ml 3820218
NPT1171 Cell Line HEp-2 Homo sapiens IC50 = 2 nM 6708054
NPT1171 Cell Line HEp-2 Homo sapiens IC50 > 3000 nM 6708054
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 MIC >= 0.4 ug/ml 3027326
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 MIC >= 0.4 ug/ml 3027326
NPT334 Organism Vaccinia virus Vaccinia virus MIC = 0.07 ug/ml 3027326
NPT195 Organism Vesicular stomatitis virus Vesicular stomatitis virus MIC = 200 ug/ml 3027326
NPT334 Organism Vaccinia virus Vaccinia virus MIC = 0.07 ug/ml 2540332
NPT165 Cell Line HeLa Homo sapiens MIC = 0.07 ug/ml 2540332
NPT189 Cell Line Vero Chlorocebus aethiops MIC = 0.07 ug/ml 2540332
NPT338 Organism Sindbis virus Sindbis virus MIC = 0.1 ug/ml 2540332
NPT2602 Organism Mammalian orthoreovirus 1 Mammalian orthoreovirus 1 MIC = 0.07 ug/ml 2540332
NPT856 Organism Semliki forest virus Semliki forest virus MIC > 0.4 ug/ml 2540332
NPT137 Cell Line L1210 Mus musculus IC50 = 0.018 ug/ml 6538600
NPT137 Cell Line L1210 Mus musculus IC50 = 67.7 nM 6538600
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 IC50 = 500 nM 8254613
NPT859 Cell Line HFF Homo sapiens IC50 = 400 nM 8254613
NPT137 Cell Line L1210 Mus musculus IC50 = 43 nM 8254613
NPT605 Organism Homo sapiens Homo sapiens IC50 = 60 nM 8254613
NPT4408 Cell Line CHO-K1-BH4 Cricetulus griseus Inhibition = 100 % 7783159
NPT4408 Cell Line CHO-K1-BH4 Cricetulus griseus Inhibition = 92 % 7783159
NPT4408 Cell Line CHO-K1-BH4 Cricetulus griseus Inhibition = 16 % 7783159
NPT4408 Cell Line CHO-K1-BH4 Cricetulus griseus Inhibition = 10 % 7783159
NPT4408 Cell Line CHO-K1-BH4 Cricetulus griseus Inhibition = 11 % 7783159
NPT4408 Cell Line CHO-K1-BH4 Cricetulus griseus Inhibition = 80 % 7783159
NPT4408 Cell Line CHO-K1-BH4 Cricetulus griseus Inhibition = 9 % 7783159
NPT4408 Cell Line CHO-K1-BH4 Cricetulus griseus Inhibition = 4 % 7783159
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 MIC > 0.2 ug/ml 1335077
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 MIC = 0.2 ug/ml 1335077
NPT334 Organism Vaccinia virus Vaccinia virus MIC > 0.1 ug/ml 1335077
NPT195 Organism Vesicular stomatitis virus Vesicular stomatitis virus MIC = 0.07 ug/ml 1335077
NPT1106 Organism Human poliovirus 1 Human poliovirus 1 MIC = 0.2 ug/ml 1335077
NPT335 Organism Human coxsackievirus B4 Human coxsackievirus B4 MIC = 0.2 ug/ml 1335077
NPT335 Organism Human coxsackievirus B4 Human coxsackievirus B4 MIC = 0.07 ug/ml 1335077
NPT336 Organism Human parainfluenza virus 3 Human parainfluenza virus 3 MIC = 0.02 ug/ml 1335077
NPT2602 Organism Mammalian orthoreovirus 1 Mammalian orthoreovirus 1 MIC = 0.02 ug/ml 1335077
NPT338 Organism Sindbis virus Sindbis virus MIC > 0.1 ug/ml 1335077
NPT856 Organism Semliki forest virus Semliki forest virus MIC > 0.1 ug/ml 1335077
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 IC50 = 500 nM 2846837
NPT859 Cell Line HFF Homo sapiens IC50 = 400 nM 2846837
NPT137 Cell Line L1210 Mus musculus IC50 = 43 nM 9057866
NPT334 Organism Vaccinia virus Vaccinia virus MIC = 0.1 ug/ml 2754698
NPT195 Organism Vesicular stomatitis virus Vesicular stomatitis virus MIC = 0.07 ug/ml 2754698
NPT165 Cell Line HeLa Homo sapiens MIC = 0.07 ug/ml 2754698
NPT165 Cell Line HeLa Homo sapiens MIC = 0.4 ug/ml 2754698
NPT336 Organism Human parainfluenza virus 3 Human parainfluenza virus 3 MIC > 0.1 ug/ml 2754698
NPT2602 Organism Mammalian orthoreovirus 1 Mammalian orthoreovirus 1 MIC > 0.1 ug/ml 2754698
NPT338 Organism Sindbis virus Sindbis virus MIC = 0.2 ug/ml 2754698
NPT335 Organism Human coxsackievirus B4 Human coxsackievirus B4 MIC > 0.1 ug/ml 2754698
NPT856 Organism Semliki forest virus Semliki forest virus MIC > 0.1 ug/ml 2754698
NPT137 Cell Line L1210 Mus musculus IC50 = 40 nM 2913300
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 IC50 = 500 nM 2913300
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 MIC > 0.4 ug/ml 2552118
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 MIC > 0.4 ug/ml 2552118
NPT334 Organism Vaccinia virus Vaccinia virus MIC > 0.1 ug/ml 2552118
NPT195 Organism Vesicular stomatitis virus Vesicular stomatitis virus MIC = 0.2 ug/ml 2552118
NPT334 Organism Vaccinia virus Vaccinia virus MIC = 0.2 ug/ml 2552118
NPT334 Organism Vaccinia virus Vaccinia virus MIC = 0.02 ug/ml 2552118
NPT334 Organism Vaccinia virus Vaccinia virus MIC = 0.07 ug/ml 2552118
NPT168 Cell Line P388 Mus musculus ID50 = 3.8 nM 2641872
NPT137 Cell Line L1210 Mus musculus ID50 = 5.4 nM 2641872
NPT116 Cell Line HL-60 Homo sapiens ID50 = 1.00E-09 nM 2641872
NPT419 Organism Oryctolagus cuniculus Oryctolagus cuniculus MIC > 0.4 ug/ml 3585910
NPT419 Organism Oryctolagus cuniculus Oryctolagus cuniculus MIC = 0.2 ug/ml 3585910
NPT419 Organism Oryctolagus cuniculus Oryctolagus cuniculus MIC = 0.07 ug/ml 3585910
NPT165 Cell Line HeLa Homo sapiens MIC = 0.07 ug/ml 3585910
NPT165 Cell Line HeLa Homo sapiens MIC = 0.2 ug/ml 3585910
NPT189 Cell Line Vero Chlorocebus aethiops MIC = 0.2 ug/ml 3585910
NPT189 Cell Line Vero Chlorocebus aethiops MIC > 0.1 ug/ml 3585910
NPT189 Cell Line Vero Chlorocebus aethiops MIC > 0.4 ug/ml 3585910
NPT1374 Cell Line WI-38 Homo sapiens MIC = 0.02 ug/ml 3585910
NPT1374 Cell Line WI-38 Homo sapiens MIC > 4 ug/ml 3585910
NPT137 Cell Line L1210 Mus musculus IC50 = 40 nM 1310744
NPT605 Organism Homo sapiens Homo sapiens IC50 = 60 nM 1310744
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 IC50 = 500 nM 1310744
NPT91 Cell Line KB Homo sapiens IC50 = 1000 nM 1310744
NPT1315 Individual Protein Adenosine A1 receptor Rattus norvegicus Ki > 100000 nM 7707320
NPT2603 Individual Protein Adenosine kinase Homo sapiens IC50 = 10000 nM 10956196
NPT2 Others Unspecified Ki = 500 nM 17977728
NPT2 Others Unspecified Activity = 114 17977728
NPT1048 Organism Poliovirus Human enterovirus C IC50 = 30 nM 20964406
NPT2 Others Unspecified EC50 = 204 nM PubChem BioAssay data set
NPT2 Others Unspecified EC50 < 100 nM PubChem BioAssay data set
NPT2 Others Unspecified EC50 = 252 nM PubChem BioAssay data set
NPT1160 Cell Line BJ Homo sapiens EC50 = 5044 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 1122 nM PubChem BioAssay data set
NPT1415 Individual Protein Heat shock factor protein 1 Mus musculus EC50 = 3057 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 2438 nM PubChem BioAssay data set
NPT2 Others Unspecified EC50 = 4118 nM PubChem BioAssay data set
NPT1160 Cell Line BJ Homo sapiens EC50 = 2082 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 631 nM PubChem BioAssay data set
NPT1160 Cell Line BJ Homo sapiens EC50 = 5450 nM PubChem BioAssay data set
NPT2 Others Unspecified EC50 = 223 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 9200 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 3662.6 nM PubChem BioAssay data set
NPT1415 Individual Protein Heat shock factor protein 1 Mus musculus AC50 = 10488 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 1010 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 > 80000 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 7420 nM PubChem BioAssay data set
NPT1415 Individual Protein Heat shock factor protein 1 Mus musculus AC50 = 3174 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 = 1 nM 21711054
NPT370 Cell Line NCI-H23 Homo sapiens GI50 = 11 nM 21711054
NPT90 Cell Line DU-145 Homo sapiens GI50 = 18 nM 21711054
NPT306 Cell Line PC-3 Homo sapiens GI50 = 48 nM 21711054
NPT393 Cell Line HCT-116 Homo sapiens GI50 = 1 nM 21711054
NPT148 Cell Line HCT-15 Homo sapiens GI50 = 11 nM 21711054
NPT2 Others Unspecified GI50 = 98 nM 21711054
NPT25 Cell Line MT4 Homo sapiens GI50 = 21 nM 21711054
NPT15 Cell Line Jurkat Homo sapiens IC50 = 7830 nM PubChem BioAssay data set
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 11220.2 nM PubChem BioAssay data set
NPT8 Individual Protein DNA polymerase iota Homo sapiens Potency 100000 nM PubChem BioAssay data set
NPT65 Cell Line HepG2 Homo sapiens Potency 1000 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 316.2 nM PubChem BioAssay data set
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 446.7 nM PubChem BioAssay data set
NPT1160 Cell Line BJ Homo sapiens EC50 < 104 nM PubChem BioAssay data set
NPT71 Cell Line HEK293 Homo sapiens Activity > 2.5 nM 21870828
NPT4409 Individual Protein Programmed cell death protein 4 Homo sapiens IC50 = 880 nM 21870828
NPT10 Individual Protein Geminin Homo sapiens Potency 517.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1584.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 35481.3 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 651.3 nM PubChem BioAssay data set
NPT478 Individual Protein Ataxin-2 Homo sapiens Potency 3162.3 nM PubChem BioAssay data set
NPT101 Individual Protein Glucagon-like peptide 1 receptor Homo sapiens Potency 1584.9 nM PubChem BioAssay data set
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Inhibition = 4.48 % 23062825
NPT67 Individual Protein Cholinesterase Equus caballus Inhibition = -12.3 % 23062825
NPT2 Others Unspecified Potency 819.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 145.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 20.6 nM PubChem BioAssay data set
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Potency 651.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1412.5 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 2770 nM PubChem BioAssay data set
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 819.9 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 91.2 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 250 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 920 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2511.9 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 3980 nM PubChem BioAssay data set
NPT535 Individual Protein Parathyroid hormone receptor Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 580.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1778.3 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 1600 nM PubChem BioAssay data set
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 9200 nM PubChem BioAssay data set
NPT11 Individual Protein Guanine nucleotide-binding protein G(s), subunit alpha Homo sapiens Potency 25118.9 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 651.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 28183.8 nM PubChem BioAssay data set
NPT2604 Individual Protein Heat shock cognate 71 kDa protein Homo sapiens Kd = 28183.83 nM 27119979
NPT2604 Individual Protein Heat shock cognate 71 kDa protein Homo sapiens Kd = 28000 nM 27119979

  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 NPC125659 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 NPC168702
0.9172 High Similarity NPC33382
0.9119 High Similarity NPC222174
0.7901 Intermediate Similarity NPC207633
0.75 Intermediate Similarity NPC239737
0.7471 Intermediate Similarity NPC321393
0.7469 Intermediate Similarity NPC21448
0.7469 Intermediate Similarity NPC156461
0.7469 Intermediate Similarity NPC107374
0.7426 Intermediate Similarity NPC107160
0.7423 Intermediate Similarity NPC164665
0.7423 Intermediate Similarity NPC189068
0.7378 Intermediate Similarity NPC269827
0.7378 Intermediate Similarity NPC219313
0.7378 Intermediate Similarity NPC309832
0.7346 Intermediate Similarity NPC229974
0.7222 Intermediate Similarity NPC209525
0.7222 Intermediate Similarity NPC161659
0.7202 Intermediate Similarity NPC211025
0.7202 Intermediate Similarity NPC185991
0.7202 Intermediate Similarity NPC85689
0.716 Intermediate Similarity NPC472816
0.716 Intermediate Similarity NPC321814
0.7143 Intermediate Similarity NPC150853
0.7134 Intermediate Similarity NPC314152
0.7118 Intermediate Similarity NPC130586
0.7118 Intermediate Similarity NPC164952
0.7118 Intermediate Similarity NPC302778
0.7118 Intermediate Similarity NPC212551
0.7117 Intermediate Similarity NPC317821
0.711 Intermediate Similarity NPC138018
0.7076 Intermediate Similarity NPC174802
0.7055 Intermediate Similarity NPC129756
0.7035 Intermediate Similarity NPC224076
0.7024 Intermediate Similarity NPC121222
0.6994 Remote Similarity NPC316618
0.6994 Remote Similarity NPC226245
0.6901 Remote Similarity NPC161224
0.6833 Remote Similarity NPC319456
0.6829 Remote Similarity NPC250178
0.68 Remote Similarity NPC311197
0.68 Remote Similarity NPC313754
0.68 Remote Similarity NPC54320
0.6798 Remote Similarity NPC323091
0.6788 Remote Similarity NPC33996
0.6784 Remote Similarity NPC136349
0.6769 Remote Similarity NPC474767
0.6768 Remote Similarity NPC320818
0.6745 Remote Similarity NPC21461
0.6743 Remote Similarity NPC52238
0.6739 Remote Similarity NPC189261
0.6667 Remote Similarity NPC328479
0.6651 Remote Similarity NPC158055
0.661 Remote Similarity NPC93365
0.6538 Remote Similarity NPC261595
0.6529 Remote Similarity NPC315642
0.6529 Remote Similarity NPC74306
0.6512 Remote Similarity NPC160666
0.651 Remote Similarity NPC313514
0.6505 Remote Similarity NPC326529
0.6503 Remote Similarity NPC321458
0.6503 Remote Similarity NPC324033
0.6488 Remote Similarity NPC62151
0.648 Remote Similarity NPC195140
0.6471 Remote Similarity NPC319100
0.6471 Remote Similarity NPC324198
0.6429 Remote Similarity NPC71079
0.6429 Remote Similarity NPC314646
0.6417 Remote Similarity NPC313897
0.6393 Remote Similarity NPC324484
0.6393 Remote Similarity NPC474217
0.6378 Remote Similarity NPC290959
0.6378 Remote Similarity NPC326082
0.6369 Remote Similarity NPC61198
0.6359 Remote Similarity NPC85918
0.6359 Remote Similarity NPC325906
0.6324 Remote Similarity NPC127730
0.6324 Remote Similarity NPC278366
0.6321 Remote Similarity NPC62510
0.631 Remote Similarity NPC262926
0.631 Remote Similarity NPC89562
0.6308 Remote Similarity NPC472289
0.6292 Remote Similarity NPC321052
0.6283 Remote Similarity NPC317010
0.6243 Remote Similarity NPC317054
0.6229 Remote Similarity NPC197068
0.6199 Remote Similarity NPC30326
0.6183 Remote Similarity NPC41333
0.6171 Remote Similarity NPC274384
0.6171 Remote Similarity NPC89147
0.6154 Remote Similarity NPC319221
0.6146 Remote Similarity NPC103388
0.6114 Remote Similarity NPC211820
0.6114 Remote Similarity NPC251233
0.6114 Remote Similarity NPC314491
0.6095 Remote Similarity NPC324009
0.6092 Remote Similarity NPC186619
0.6083 Remote Similarity NPC130570
0.608 Remote Similarity NPC177169
0.6049 Remote Similarity NPC276373
0.6045 Remote Similarity NPC64705
0.6045 Remote Similarity NPC232408
0.604 Remote Similarity NPC292361
0.6023 Remote Similarity NPC318590
0.6021 Remote Similarity NPC313730
0.602 Remote Similarity NPC24589
0.6019 Remote Similarity NPC5802
0.601 Remote Similarity NPC282458
0.601 Remote Similarity NPC78941
0.6 Remote Similarity NPC326694
0.599 Remote Similarity NPC157821
0.5989 Remote Similarity NPC317746
0.598 Remote Similarity NPC149708
0.5979 Remote Similarity NPC34300
0.593 Remote Similarity NPC327941
0.5909 Remote Similarity NPC163421
0.5909 Remote Similarity NPC188387
0.5822 Remote Similarity NPC89987
0.5816 Remote Similarity NPC141377
0.5794 Remote Similarity NPC320968
0.5774 Remote Similarity NPC150447
0.5767 Remote Similarity NPC14590
0.5767 Remote Similarity NPC471603
0.5733 Remote Similarity NPC69843
0.5728 Remote Similarity NPC314957
0.5721 Remote Similarity NPC64216
0.5714 Remote Similarity NPC476492
0.5707 Remote Similarity NPC162268
0.568 Remote Similarity NPC20593
0.5668 Remote Similarity NPC54744
0.5668 Remote Similarity NPC282247
0.5665 Remote Similarity NPC306397
0.5665 Remote Similarity NPC75544
0.5665 Remote Similarity NPC165370
0.5662 Remote Similarity NPC238945
0.5661 Remote Similarity NPC124276
0.565 Remote Similarity NPC325093
0.5648 Remote Similarity NPC49217
0.5641 Remote Similarity NPC470498
0.5638 Remote Similarity NPC120070
0.5632 Remote Similarity NPC57279
0.5625 Remote Similarity NPC471322
0.5625 Remote Similarity NPC469813
0.5625 Remote Similarity NPC78375
0.5625 Remote Similarity NPC476446
0.5615 Remote Similarity NPC469975
0.5602 Remote Similarity NPC84268
0.56 Remote Similarity NPC233936

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC125659 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
0.8788 High Similarity NPD1046 Clinical (unspecified phase)
0.848 Intermediate Similarity NPD1063 Phase 2
0.8344 Intermediate Similarity NPD527 Clinical (unspecified phase)
0.7742 Intermediate Similarity NPD5486 Discontinued
0.7619 Intermediate Similarity NPD5458 Discontinued
0.7469 Intermediate Similarity NPD249 Approved
0.7469 Intermediate Similarity NPD250 Approved
0.7378 Intermediate Similarity NPD195 Approved
0.7378 Intermediate Similarity NPD186 Discovery
0.7365 Intermediate Similarity NPD536 Clinical (unspecified phase)
0.7344 Intermediate Similarity NPD2876 Phase 3
0.7344 Intermediate Similarity NPD2877 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD2965 Clinical (unspecified phase)
0.7268 Intermediate Similarity NPD2824 Phase 2
0.7202 Intermediate Similarity NPD283 Approved
0.7182 Intermediate Similarity NPD4716 Approved
0.7143 Intermediate Similarity NPD4744 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD185 Approved
0.7118 Intermediate Similarity NPD338 Approved
0.7118 Intermediate Similarity NPD1750 Clinical (unspecified phase)
0.7118 Intermediate Similarity NPD1369 Phase 2
0.7118 Intermediate Similarity NPD242 Approved
0.7118 Intermediate Similarity NPD3107 Discontinued
0.7097 Intermediate Similarity NPD207 Discontinued
0.7093 Intermediate Similarity NPD2624 Phase 2
0.7076 Intermediate Similarity NPD339 Approved
0.7071 Intermediate Similarity NPD4563 Phase 2
0.7065 Intermediate Similarity NPD1692 Approved
0.7062 Intermediate Similarity NPD2647 Phase 3
0.7048 Intermediate Similarity NPD166 Approved
0.7035 Intermediate Similarity NPD169 Phase 2
0.7012 Intermediate Similarity NPD193 Suspended
0.6994 Remote Similarity NPD1732 Phase 3
0.6994 Remote Similarity NPD2646 Discontinued
0.6959 Remote Similarity NPD231 Clinical (unspecified phase)
0.6881 Remote Similarity NPD8250 Phase 2
0.6872 Remote Similarity NPD4459 Clinical (unspecified phase)
0.6872 Remote Similarity NPD4458 Phase 2
0.6866 Remote Similarity NPD2903 Clinical (unspecified phase)
0.6866 Remote Similarity NPD2902 Phase 2
0.6825 Remote Similarity NPD2152 Clinical (unspecified phase)
0.68 Remote Similarity NPD216 Approved
0.68 Remote Similarity NPD218 Approved
0.68 Remote Similarity NPD217 Approved
0.68 Remote Similarity NPD219 Phase 3
0.68 Remote Similarity NPD220 Clinical (unspecified phase)
0.6791 Remote Similarity NPD5172 Phase 2
0.6789 Remote Similarity NPD2544 Clinical (unspecified phase)
0.6784 Remote Similarity NPD548 Clinical (unspecified phase)
0.678 Remote Similarity NPD516 Clinical (unspecified phase)
0.6776 Remote Similarity NPD5666 Phase 2
0.6748 Remote Similarity NPD4555 Clinical (unspecified phase)
0.6722 Remote Similarity NPD2135 Approved
0.6722 Remote Similarity NPD2136 Approved
0.6722 Remote Similarity NPD2134 Approved
0.6697 Remote Similarity NPD6351 Discovery
0.6651 Remote Similarity NPD6840 Approved
0.6651 Remote Similarity NPD7502 Clinical (unspecified phase)
0.6632 Remote Similarity NPD2127 Suspended
0.6632 Remote Similarity NPD2872 Phase 2
0.6629 Remote Similarity NPD213 Clinical (unspecified phase)
0.6629 Remote Similarity NPD214 Approved
0.6617 Remote Similarity NPD4533 Clinical (unspecified phase)
0.661 Remote Similarity NPD546 Clinical (unspecified phase)
0.6538 Remote Similarity NPD247 Clinical (unspecified phase)
0.6529 Remote Similarity NPD582 Approved
0.651 Remote Similarity NPD7138 Phase 2
0.6502 Remote Similarity NPD4612 Discontinued
0.649 Remote Similarity NPD5080 Phase 2
0.6471 Remote Similarity NPD4171 Clinical (unspecified phase)
0.6467 Remote Similarity NPD9582 Phase 3
0.6463 Remote Similarity NPD9632 Phase 3
0.6458 Remote Similarity NPD3913 Clinical (unspecified phase)
0.6458 Remote Similarity NPD5684 Clinical (unspecified phase)
0.6458 Remote Similarity NPD5683 Clinical (unspecified phase)
0.6458 Remote Similarity NPD5682 Phase 3
0.6458 Remote Similarity NPD6417 Clinical (unspecified phase)
0.6448 Remote Similarity NPD7988 Suspended
0.6442 Remote Similarity NPD5079 Phase 2
0.6439 Remote Similarity NPD4495 Phase 1
0.6436 Remote Similarity NPD4683 Phase 3
0.6436 Remote Similarity NPD1915 Phase 1
0.6436 Remote Similarity NPD1412 Clinical (unspecified phase)
0.6429 Remote Similarity NPD4239 Clinical (unspecified phase)
0.6379 Remote Similarity NPD1427 Clinical (unspecified phase)
0.6374 Remote Similarity NPD3083 Approved
0.6373 Remote Similarity NPD796 Phase 2
0.6373 Remote Similarity NPD8410 Clinical (unspecified phase)
0.6369 Remote Similarity NPD252 Clinical (unspecified phase)
0.6368 Remote Similarity NPD4187 Clinical (unspecified phase)
0.6364 Remote Similarity NPD248 Discontinued
0.6359 Remote Similarity NPD3014 Clinical (unspecified phase)
0.6359 Remote Similarity NPD1777 Approved
0.6359 Remote Similarity NPD3013 Phase 3
0.6359 Remote Similarity NPD1776 Approved
0.6354 Remote Similarity NPD2457 Phase 2
0.6354 Remote Similarity NPD2456 Phase 2
0.633 Remote Similarity NPD2928 Phase 2
0.6327 Remote Similarity NPD5171 Clinical (unspecified phase)
0.6304 Remote Similarity NPD5925 Phase 1
0.6294 Remote Similarity NPD1234 Discontinued
0.6289 Remote Similarity NPD2591 Phase 2
0.6277 Remote Similarity NPD4089 Clinical (unspecified phase)
0.6274 Remote Similarity NPD534 Phase 2
0.6274 Remote Similarity NPD537 Phase 2
0.625 Remote Similarity NPD3593 Approved
0.625 Remote Similarity NPD691 Discontinued
0.6239 Remote Similarity NPD8375 Approved
0.6238 Remote Similarity NPD5584 Clinical (unspecified phase)
0.6221 Remote Similarity NPD549 Approved
0.6216 Remote Similarity NPD8409 Suspended
0.6212 Remote Similarity NPD4615 Phase 2
0.6188 Remote Similarity NPD5665 Clinical (unspecified phase)
0.6184 Remote Similarity NPD8371 Clinical (unspecified phase)
0.6181 Remote Similarity NPD3485 Clinical (unspecified phase)
0.6173 Remote Similarity NPD3002 Clinical (unspecified phase)
0.6168 Remote Similarity NPD245 Suspended
0.6164 Remote Similarity NPD8373 Clinical (unspecified phase)
0.6158 Remote Similarity NPD2536 Discontinued
0.6146 Remote Similarity NPD2930 Clinical (unspecified phase)
0.6145 Remote Similarity NPD870 Clinical (unspecified phase)
0.6142 Remote Similarity NPD2631 Clinical (unspecified phase)
0.6142 Remote Similarity NPD2632 Approved
0.6142 Remote Similarity NPD2630 Approved
0.6139 Remote Similarity NPD3287 Clinical (unspecified phase)
0.6138 Remote Similarity NPD1567 Clinical (unspecified phase)
0.6124 Remote Similarity NPD8321 Discontinued
0.6122 Remote Similarity NPD6721 Phase 1
0.6122 Remote Similarity NPD5757 Discontinued
0.6118 Remote Similarity NPD194 Clinical (unspecified phase)
0.6114 Remote Similarity NPD5508 Phase 1
0.6096 Remote Similarity NPD5269 Clinical (unspecified phase)
0.6096 Remote Similarity NPD8291 Clinical (unspecified phase)
0.608 Remote Similarity NPD6272 Phase 1
0.6078 Remote Similarity NPD4599 Clinical (unspecified phase)
0.6071 Remote Similarity NPD2724 Phase 1
0.6064 Remote Similarity NPD1215 Discontinued
0.6041 Remote Similarity NPD6047 Phase 1
0.6023 Remote Similarity NPD174 Discontinued
0.6022 Remote Similarity NPD2593 Clinical (unspecified phase)
0.6021 Remote Similarity NPD1599 Approved
0.6019 Remote Similarity NPD4872 Clinical (unspecified phase)
0.6019 Remote Similarity NPD3265 Phase 1
0.6011 Remote Similarity NPD1333 Phase 3
0.601 Remote Similarity NPD3830 Phase 1
0.6009 Remote Similarity NPD7202 Clinical (unspecified phase)
0.6 Remote Similarity NPD6626 Approved
0.6 Remote Similarity NPD3521 Phase 2
0.5991 Remote Similarity NPD6381 Phase 2
0.599 Remote Similarity NPD4999 Phase 3
0.599 Remote Similarity NPD2829 Clinical (unspecified phase)
0.599 Remote Similarity NPD2364 Suspended
0.599 Remote Similarity NPD4998 Phase 3
0.599 Remote Similarity NPD2814 Clinical (unspecified phase)
0.5989 Remote Similarity NPD1015 Phase 2
0.5989 Remote Similarity NPD1016 Phase 2
0.5988 Remote Similarity NPD9726 Discontinued
0.598 Remote Similarity NPD3469 Phase 3
0.598 Remote Similarity NPD7504 Discontinued
0.5972 Remote Similarity NPD6192 Phase 3
0.5971 Remote Similarity NPD3831 Approved
0.5971 Remote Similarity NPD6307 Clinical (unspecified phase)
0.5962 Remote Similarity NPD5679 Clinical (unspecified phase)
0.5961 Remote Similarity NPD7935 Phase 2
0.596 Remote Similarity NPD3378 Clinical (unspecified phase)
0.5953 Remote Similarity NPD4893 Phase 3
0.5952 Remote Similarity NPD1367 Phase 2
0.5952 Remote Similarity NPD2357 Approved
0.595 Remote Similarity NPD4054 Clinical (unspecified phase)
0.5947 Remote Similarity NPD2333 Discontinued
0.5942 Remote Similarity NPD7079 Clinical (unspecified phase)
0.5938 Remote Similarity NPD5324 Clinical (unspecified phase)
0.5938 Remote Similarity NPD966 Clinical (unspecified phase)
0.5935 Remote Similarity NPD6528 Phase 1
0.5933 Remote Similarity NPD4023 Clinical (unspecified phase)
0.5926 Remote Similarity NPD1623 Approved
0.5911 Remote Similarity NPD1912 Approved
0.5907 Remote Similarity NPD6772 Clinical (unspecified phase)
0.5903 Remote Similarity NPD3849 Clinical (unspecified phase)
0.5903 Remote Similarity NPD2414 Clinical (unspecified phase)
0.5895 Remote Similarity NPD8412 Phase 1
0.5894 Remote Similarity NPD6151 Phase 2
0.5893 Remote Similarity NPD5627 Approved
0.5892 Remote Similarity NPD5358 Clinical (unspecified phase)
0.5888 Remote Similarity NPD2847 Phase 2
0.5885 Remote Similarity NPD2993 Clinical (unspecified phase)
0.5882 Remote Similarity NPD1705 Discontinued
0.588 Remote Similarity NPD5465 Phase 2
0.5879 Remote Similarity NPD706 Phase 1
0.5879 Remote Similarity NPD420 Discontinued
0.5877 Remote Similarity NPD6992 Phase 2
0.5876 Remote Similarity NPD1380 Discovery
0.5865 Remote Similarity NPD6268 Phase 1
0.5865 Remote Similarity NPD6269 Clinical (unspecified phase)
0.5862 Remote Similarity NPD2445 Approved
0.5862 Remote Similarity NPD2446 Approved
0.5862 Remote Similarity NPD2362 Approved
0.586 Remote Similarity NPD1709 Phase 1
0.586 Remote Similarity NPD4074 Clinical (unspecified phase)
0.5856 Remote Similarity NPD5567 Approved

Structure

External Identifiers

PubChem CID   6245
ChEMBL   CHEMBL267099
ZINC  

Physicochemical Properties

Molecular Weight:  266.10
ALogP:  -2.2791
MLogP:  1.79
XLogP:  -1.263
# Rotatable Bonds:  6
Polar Surface Area:  126.65
# H-Bond Aceptor:  8
# H-Bond Donor:  4
# Rings:  3
# Heavy Atoms:  19

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Biological Activities  
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