Natural Product: NPC314152

Natural Product ID:  NPC314152
Common Name:   Cladribine
IUPAC Name:   (2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
Synonyms:   Cladaribine; Cladribine; Leustat; Leustatin; Litak; RWJ-26251
Molecular Formula:   C10H12ClN5O3
Standard InCHIKey:  PTOAARAWEBMLNO-KVQBGUIXSA-N
Standard InCHI:  InChI=1S/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1
Canonical SMILES:  OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(Cl)nc2N
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
NPO32213 Streptomyces scsio 1934 Species Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT336 Organism Human parainfluenza virus 3 Human parainfluenza virus 3 ED50 > 0.0005 nM 2995666
NPT1049 Organism Measles virus Measles virus ED50 > 0.0005 nM 2995666
NPT334 Organism Vaccinia virus Vaccinia virus ED50 = 5.00E-06 nM 2995666
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 ED50 = 5.00E-06 nM 2995666
NPT137 Cell Line L1210 Mus musculus ID50 = 2.60E-08 nM 2995666
NPT168 Cell Line P388 Mus musculus ID50 = 3.20E-08 nM 2995666
NPT1171 Cell Line HEp-2 Homo sapiens IC50 = 30 nM 1732556
NPT137 Cell Line L1210 Mus musculus IC50 = 70 nM 1732556
NPT404 Cell Line CCRF-CEM Homo sapiens IC50 = 3 nM 1732556
NPT1315 Individual Protein Adenosine A1 receptor Rattus norvegicus Ki = 7320 nM 7707320
NPT1316 Individual Protein Adenosine A2a receptor Rattus norvegicus Ki = 20400 nM 7707320
NPT1760 Individual Protein Adenosine A3 receptor Rattus norvegicus Ki = 207000 nM 7707320
NPT3560 Individual Protein Deoxycytidine kinase Homo sapiens Ratio = 0.0077 /s/microM 18570408
NPT3560 Individual Protein Deoxycytidine kinase Homo sapiens Ratio = 0.0726 /s/microM 18570408
NPT2 Others Unspecified Ratio = 0.0178 /s/microM 18570408
NPT2 Others Unspecified Ratio = 0.038 /s/microM 18570408
NPT19 Organism Escherichia coli Escherichia coli MIC > 100000 nM 17526755
NPT3893 Organism Streptococcus sp. Streptococcus sp. MIC = 100000 nM 17526755
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 100000 nM 17526755
NPT404 Cell Line CCRF-CEM Homo sapiens Inhibition = 44.77 % 19929004
NPT404 Cell Line CCRF-CEM Homo sapiens Inhibition = 9.54 % 19929004
NPT404 Cell Line CCRF-CEM Homo sapiens Activity = 0.44 % 19929004
NPT404 Cell Line CCRF-CEM Homo sapiens Activity = 0.85 % 19929004
NPT404 Cell Line CCRF-CEM Homo sapiens Activity = 1.9 % 19929004
NPT404 Cell Line CCRF-CEM Homo sapiens Activity = 46.2 % 19929004
NPT404 Cell Line CCRF-CEM Homo sapiens Activity = 61.5 % 19929004
NPT404 Cell Line CCRF-CEM Homo sapiens Activity = 24.9 % 19929004
NPT404 Cell Line CCRF-CEM Homo sapiens Activity = 7.6 % 19929004
NPT404 Cell Line CCRF-CEM Homo sapiens Activity = 13 % 19929004
NPT404 Cell Line CCRF-CEM Homo sapiens Activity = 73.2 % 19929004
NPT404 Cell Line CCRF-CEM Homo sapiens Activity = 48 % 19929004
NPT404 Cell Line CCRF-CEM Homo sapiens Activity = 41.3 % 19929004
NPT404 Cell Line CCRF-CEM Homo sapiens Activity = 30.8 % 19929004
NPT404 Cell Line CCRF-CEM Homo sapiens Activity = 61.6 % 19929004
NPT404 Cell Line CCRF-CEM Homo sapiens Activity = 32.1 % 19929004
NPT2 Others Unspecified Ki > 100000 nM 19731917
NPT2 Others Unspecified Inhibition = 9 % 19731917
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 794.3 nM PubChem BioAssay data set
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 707.9 nM PubChem BioAssay data set
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 50.1 nM PubChem BioAssay data set
NPT1197 Individual Protein Huntingtin Homo sapiens Potency = 4466.8 nM PubChem BioAssay data set
NPT93 Individual Protein Survival motor neuron protein Homo sapiens Potency = 8912.5 nM PubChem BioAssay data set
NPT93 Individual Protein Survival motor neuron protein Homo sapiens Potency = 6309.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 20596.2 nM PubChem BioAssay data set
NPT539 Individual Protein Cellular tumor antigen p53 Homo sapiens Potency = 25118.9 nM PubChem BioAssay data set
NPT539 Individual Protein Cellular tumor antigen p53 Homo sapiens Potency = 12589.3 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 19952.6 nM PubChem BioAssay data set
NPT2 Others Unspecified EC50 = 4800 nM PubChem BioAssay data set
NPT2 Others Unspecified EC50 = 2958 nM PubChem BioAssay data set
NPT2944 Individual Protein Relaxin receptor 1 Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT2944 Individual Protein Relaxin receptor 1 Homo sapiens Potency = 22387.2 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 = 240.4 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 13 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8199.5 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 5060 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 > 80000 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 18400 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens IC50 = 7690 nM 21711054
NPT111 Cell Line K562 Homo sapiens IC50 = 170 nM 21711054
NPT1960 Cell Line BV-173 Homo sapiens IC50 = 0.8 nM 21711054
NPT2 Others Unspecified IC50 = 352 nM 21711054
NPT137 Cell Line L1210 Mus musculus IC50 = 393 nM 21711054
NPT4590 Cell Line EL4 Mus musculus IC50 = 848 nM 21711054
NPT83 Cell Line MCF7 Homo sapiens IC50 = 2350 nM 21711054
NPT457 Cell Line BT-549 Homo sapiens IC50 = 123 nM 21711054
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 > 10000 nM 21711054
NPT2380 Cell Line SK-N-AS Homo sapiens IC50 > 10000 nM 21711054
NPT2 Others Unspecified IC50 > 10000 nM 21711054
NPT76 Cell Line C6 Rattus norvegicus IC50 = 9070 nM 21711054
NPT139 Cell Line HT-29 Homo sapiens IC50 = 9440 nM 21711054
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 9430 nM 21711054
NPT3723 Cell Line CT26 Mus musculus IC50 = 131 nM 21711054
NPT306 Cell Line PC-3 Homo sapiens IC50 = 8280 nM 21711054
NPT858 Cell Line LNCaP Homo sapiens IC50 > 10000 nM 21711054
NPT2 Others Unspecified IC50 = 165 nM 21711054
NPT165 Cell Line HeLa Homo sapiens IC50 > 10000 nM 21711054
NPT146 Cell Line SK-OV-3 Homo sapiens IC50 > 10000 nM 21711054
NPT147 Cell Line SK-MEL-2 Homo sapiens IC50 > 10000 nM 21711054
NPT5888 Cell Line HPAC Homo sapiens IC50 = 9320 nM 21711054
NPT2 Others Unspecified IC50 = 285 nM 21711054
NPT1160 Cell Line BJ Homo sapiens IC50 > 10000 nM 21711054
NPT404 Cell Line CCRF-CEM Homo sapiens IC50 = 0.5 nM 21840722
NPT80 Cell Line Raji Homo sapiens IC50 = 9 nM 21840722
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 = 317.7 nM PubChem BioAssay data set
NPT15 Cell Line Jurkat Homo sapiens IC50 = 660 nM PubChem BioAssay data set
NPT65 Cell Line HepG2 Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 316.2 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 31622.8 nM PubChem BioAssay data set
NPT586 Organism Giardia Giardia Potency 163.2 nM PubChem BioAssay data set
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 3625 nM DrugMatrix in vitro pharmacology data
NPT10 Individual Protein Geminin Homo sapiens Potency 1158.2 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 21.7 nM PubChem BioAssay data set
NPT539 Individual Protein Cellular tumor antigen p53 Homo sapiens Potency 501.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 679.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3548.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7621.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 27041.2 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 651.3 nM PubChem BioAssay data set
NPT101 Individual Protein Glucagon-like peptide 1 receptor Homo sapiens Potency 12589.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 959.5 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 50870 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 9.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 9.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 206 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 183.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8.2 nM PubChem BioAssay data set
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Potency 366.3 nM PubChem BioAssay data set
NPT1663 Individual Protein Tyrosine-protein kinase YES Homo sapiens Potency 79258.6 nM PubChem BioAssay data set
NPT161 Individual Protein Rap guanine nucleotide exchange factor 4 Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 486.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 17782.8 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 9070 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1778.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 30419.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4324 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3434.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 341.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 841.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7079.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 22387.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11220.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 135.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 421.6 nM PubChem BioAssay data set
NPT105 Individual Protein Muscleblind-like protein 1 Homo sapiens Potency 125.9 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 172.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 48.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 298.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4466.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10000 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 12218.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 9520.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 26832.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 16.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 9439.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21.1 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 5804.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 865 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 14125.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 30611.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 13.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5308 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens IC50 = 700 nM 25462277
NPT2 Others Unspecified IC50 = 300 nM 25462277
NPT2 Others Unspecified IC50 = 1800 nM 25462277
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Activity = 15.9 % 25618019
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Activity = 10 % 25618019
NPT2 Others Unspecified AC50 14130 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 4466.8 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 28183.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 48086.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3863.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1076.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 9594.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4821.2 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 2300 nM 25960323
NPT2 Others Unspecified IC50 = 200 nM 25960323
NPT111 Cell Line K562 Homo sapiens IC50 = 10000 nM 25960323
NPT2 Others Unspecified IC50 = 6000 nM 25960323
NPT2 Others Unspecified IC50 = 4000 nM 25960323
NPT2 Others Unspecified IC50 = 1000 nM 25960323
NPT133 Cell Line ZR-75-1 Homo sapiens IC50 > 100000 nM 25960323
NPT83 Cell Line MCF7 Homo sapiens IC50 = 45000 nM 25960323

  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 NPC314152 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
0.9846 High Similarity NPC161659
0.9846 High Similarity NPC209525
0.9701 High Similarity NPC269827
0.9552 High Similarity NPC156461
0.9552 High Similarity NPC107374
0.9552 High Similarity NPC21448
0.9549 High Similarity NPC229974
0.9481 High Similarity NPC189068
0.9481 High Similarity NPC164665
0.9412 High Similarity NPC219313
0.9412 High Similarity NPC309832
0.9398 High Similarity NPC317821
0.9343 High Similarity NPC121222
0.9155 High Similarity NPC224076
0.9143 High Similarity NPC161224
0.9143 High Similarity NPC211025
0.9143 High Similarity NPC85689
0.9143 High Similarity NPC185991
0.9078 High Similarity NPC321814
0.9078 High Similarity NPC472816
0.9014 High Similarity NPC302778
0.9014 High Similarity NPC164952
0.9014 High Similarity NPC130586
0.9014 High Similarity NPC212551
0.8951 High Similarity NPC174802
0.8897 High Similarity NPC129756
0.8865 High Similarity NPC136349
0.8828 High Similarity NPC316618
0.8828 High Similarity NPC239737
0.8828 High Similarity NPC226245
0.8824 High Similarity NPC33996
0.8811 High Similarity NPC207633
0.8681 High Similarity NPC328479
0.8671 High Similarity NPC150853
0.863 High Similarity NPC52238
0.8571 High Similarity NPC313754
0.8571 High Similarity NPC54320
0.8571 High Similarity NPC311197
0.8533 High Similarity NPC323091
0.8406 Intermediate Similarity NPC320818
0.8389 Intermediate Similarity NPC195140
0.8312 Intermediate Similarity NPC326082
0.82 Intermediate Similarity NPC93365
0.8182 Intermediate Similarity NPC261595
0.8129 Intermediate Similarity NPC324033
0.8129 Intermediate Similarity NPC321458
0.8117 Intermediate Similarity NPC324484
0.8101 Intermediate Similarity NPC326529
0.8077 Intermediate Similarity NPC290959
0.8065 Intermediate Similarity NPC325906
0.805 Intermediate Similarity NPC324198
0.805 Intermediate Similarity NPC189261
0.805 Intermediate Similarity NPC319100
0.7943 Intermediate Similarity NPC262926
0.7887 Intermediate Similarity NPC61198
0.7697 Intermediate Similarity NPC321052
0.7676 Intermediate Similarity NPC324009
0.7655 Intermediate Similarity NPC30326
0.7654 Intermediate Similarity NPC313897
0.7622 Intermediate Similarity NPC319221
0.7619 Intermediate Similarity NPC186619
0.7584 Intermediate Similarity NPC89147
0.7584 Intermediate Similarity NPC274384
0.7517 Intermediate Similarity NPC318590
0.7517 Intermediate Similarity NPC251233
0.7517 Intermediate Similarity NPC211820
0.7467 Intermediate Similarity NPC317746
0.7467 Intermediate Similarity NPC177169
0.745 Intermediate Similarity NPC74306
0.745 Intermediate Similarity NPC315642
0.744 Intermediate Similarity NPC24589
0.7417 Intermediate Similarity NPC232408
0.7417 Intermediate Similarity NPC64705
0.7412 Intermediate Similarity NPC282458
0.7412 Intermediate Similarity NPC78941
0.7338 Intermediate Similarity NPC326694
0.7209 Intermediate Similarity NPC313514
0.7178 Intermediate Similarity NPC33382
0.7134 Intermediate Similarity NPC168702
0.7134 Intermediate Similarity NPC125659
0.7121 Intermediate Similarity NPC476564
0.7075 Intermediate Similarity NPC57279
0.7055 Intermediate Similarity NPC246193
0.7048 Intermediate Similarity NPC222174
0.7023 Intermediate Similarity NPC174114
0.7023 Intermediate Similarity NPC87981
0.6994 Remote Similarity NPC14590
0.695 Remote Similarity NPC327579
0.6939 Remote Similarity NPC104011
0.6933 Remote Similarity NPC321393
0.6923 Remote Similarity NPC276373
0.6885 Remote Similarity NPC5802
0.6861 Remote Similarity NPC4837
0.6861 Remote Similarity NPC312187
0.6848 Remote Similarity NPC157821
0.6712 Remote Similarity NPC248007
0.6618 Remote Similarity NPC18335
0.6531 Remote Similarity NPC250178
0.6524 Remote Similarity NPC472834
0.6507 Remote Similarity NPC139776
0.649 Remote Similarity NPC287876
0.6424 Remote Similarity NPC14330
0.6402 Remote Similarity NPC103388
0.6345 Remote Similarity NPC68938
0.6305 Remote Similarity NPC107160
0.6214 Remote Similarity NPC21461
0.6214 Remote Similarity NPC160666
0.6211 Remote Similarity NPC217656
0.62 Remote Similarity NPC109322
0.6173 Remote Similarity NPC89139
0.6164 Remote Similarity NPC296437
0.6125 Remote Similarity NPC470266
0.6124 Remote Similarity NPC158055
0.6122 Remote Similarity NPC189314
0.6115 Remote Similarity NPC476561
0.6061 Remote Similarity NPC244700
0.6049 Remote Similarity NPC476433
0.6049 Remote Similarity NPC476528
0.6034 Remote Similarity NPC164845
0.6027 Remote Similarity NPC313547
0.6026 Remote Similarity NPC5707
0.6012 Remote Similarity NPC474986
0.6012 Remote Similarity NPC476522
0.6012 Remote Similarity NPC476013
0.6012 Remote Similarity NPC476520
0.6 Remote Similarity NPC472833
0.6 Remote Similarity NPC476408
0.5978 Remote Similarity NPC265111
0.5976 Remote Similarity NPC476521
0.5934 Remote Similarity NPC473585
0.5915 Remote Similarity NPC476099
0.5896 Remote Similarity NPC472832
0.5896 Remote Similarity NPC18308
0.5844 Remote Similarity NPC180493
0.5804 Remote Similarity NPC476562
0.5769 Remote Similarity NPC180462
0.5764 Remote Similarity NPC119133
0.5743 Remote Similarity NPC256849
0.5741 Remote Similarity NPC470141
0.5714 Remote Similarity NPC47936
0.5689 Remote Similarity NPC174020
0.5671 Remote Similarity NPC210947
0.5638 Remote Similarity NPC303899
0.5634 Remote Similarity NPC293163
0.5625 Remote Similarity NPC59314

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC314152 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 NPD185 Approved
0.9848 High Similarity NPD166 Approved
0.9701 High Similarity NPD186 Discovery
0.9552 High Similarity NPD249 Approved
0.9552 High Similarity NPD250 Approved
0.9545 High Similarity NPD193 Suspended
0.9412 High Similarity NPD195 Approved
0.9155 High Similarity NPD169 Phase 2
0.9143 High Similarity NPD283 Approved
0.9014 High Similarity NPD338 Approved
0.9014 High Similarity NPD1750 Clinical (unspecified phase)
0.9014 High Similarity NPD3107 Discontinued
0.9014 High Similarity NPD1369 Phase 2
0.9014 High Similarity NPD242 Approved
0.8951 High Similarity NPD339 Approved
0.8865 High Similarity NPD548 Clinical (unspecified phase)
0.8828 High Similarity NPD2624 Phase 2
0.8828 High Similarity NPD2646 Discontinued
0.8828 High Similarity NPD1732 Phase 3
0.8722 High Similarity NPD248 Discontinued
0.8667 High Similarity NPD7988 Suspended
0.8621 High Similarity NPD213 Clinical (unspecified phase)
0.8621 High Similarity NPD214 Approved
0.8571 High Similarity NPD217 Approved
0.8571 High Similarity NPD220 Clinical (unspecified phase)
0.8571 High Similarity NPD218 Approved
0.8571 High Similarity NPD216 Approved
0.8571 High Similarity NPD219 Phase 3
0.8433 Intermediate Similarity NPD870 Clinical (unspecified phase)
0.8366 Intermediate Similarity NPD2647 Phase 3
0.8228 Intermediate Similarity NPD1412 Clinical (unspecified phase)
0.82 Intermediate Similarity NPD546 Clinical (unspecified phase)
0.8182 Intermediate Similarity NPD247 Clinical (unspecified phase)
0.8101 Intermediate Similarity NPD5666 Phase 2
0.8065 Intermediate Similarity NPD1776 Approved
0.8065 Intermediate Similarity NPD1777 Approved
0.805 Intermediate Similarity NPD4171 Clinical (unspecified phase)
0.8043 Intermediate Similarity NPD9632 Phase 3
0.7901 Intermediate Similarity NPD4716 Approved
0.7887 Intermediate Similarity NPD252 Clinical (unspecified phase)
0.7871 Intermediate Similarity NPD3083 Approved
0.7853 Intermediate Similarity NPD4744 Clinical (unspecified phase)
0.7817 Intermediate Similarity NPD194 Clinical (unspecified phase)
0.7806 Intermediate Similarity NPD516 Clinical (unspecified phase)
0.7784 Intermediate Similarity NPD2631 Clinical (unspecified phase)
0.7784 Intermediate Similarity NPD2632 Approved
0.7784 Intermediate Similarity NPD2630 Approved
0.7758 Intermediate Similarity NPD1692 Approved
0.7671 Intermediate Similarity NPD549 Approved
0.7665 Intermediate Similarity NPD6417 Clinical (unspecified phase)
0.7665 Intermediate Similarity NPD5682 Phase 3
0.7665 Intermediate Similarity NPD5683 Clinical (unspecified phase)
0.7665 Intermediate Similarity NPD5684 Clinical (unspecified phase)
0.7589 Intermediate Similarity NPD9633 Phase 3
0.75 Intermediate Similarity NPD9408 Phase 3
0.7468 Intermediate Similarity NPD536 Clinical (unspecified phase)
0.7467 Intermediate Similarity NPD7158 Phase 1
0.7451 Intermediate Similarity NPD3708 Phase 2
0.745 Intermediate Similarity NPD582 Approved
0.7244 Intermediate Similarity NPD231 Clinical (unspecified phase)
0.7226 Intermediate Similarity NPD3085 Phase 1
0.7209 Intermediate Similarity NPD7138 Phase 2
0.7179 Intermediate Similarity NPD3086 Phase 3
0.7125 Intermediate Similarity NPD4074 Clinical (unspecified phase)
0.7065 Intermediate Similarity NPD2824 Phase 2
0.7029 Intermediate Similarity NPD4054 Clinical (unspecified phase)
0.7013 Intermediate Similarity NPD171 Discontinued
0.7 Intermediate Similarity NPD9606 Approved
0.6995 Remote Similarity NPD2965 Clinical (unspecified phase)
0.6974 Remote Similarity NPD3695 Approved
0.6974 Remote Similarity NPD3696 Approved
0.6957 Remote Similarity NPD2877 Clinical (unspecified phase)
0.6957 Remote Similarity NPD2876 Phase 3
0.695 Remote Similarity NPD9607 Approved
0.6918 Remote Similarity NPD9605 Phase 3
0.6915 Remote Similarity NPD2903 Clinical (unspecified phase)
0.6915 Remote Similarity NPD2902 Phase 2
0.6913 Remote Similarity NPD209 Clinical (unspecified phase)
0.6867 Remote Similarity NPD1119 Phase 2
0.6802 Remote Similarity NPD1046 Clinical (unspecified phase)
0.6786 Remote Similarity NPD9374 Approved
0.6763 Remote Similarity NPD9373 Approved
0.6752 Remote Similarity NPD1730 Discontinued
0.6747 Remote Similarity NPD527 Clinical (unspecified phase)
0.6733 Remote Similarity NPD545 Clinical (unspecified phase)
0.672 Remote Similarity NPD4495 Phase 1
0.6713 Remote Similarity NPD307 Approved
0.6712 Remote Similarity NPD9084 Phase 2
0.6689 Remote Similarity NPD1058 Discontinued
0.6624 Remote Similarity NPD4240 Approved
0.6623 Remote Similarity NPD547 Clinical (unspecified phase)
0.6618 Remote Similarity NPD8836 Approved
0.6603 Remote Similarity NPD2253 Discontinued
0.6573 Remote Similarity NPD1063 Phase 2
0.6562 Remote Similarity NPD775 Approved
0.6556 Remote Similarity NPD282 Approved
0.6543 Remote Similarity NPD353 Discontinued
0.6536 Remote Similarity NPD9484 Clinical (unspecified phase)
0.6516 Remote Similarity NPD799 Phase 1
0.649 Remote Similarity NPD8829 Clinical (unspecified phase)
0.6471 Remote Similarity NPD9083 Clinical (unspecified phase)
0.6434 Remote Similarity NPD9584 Phase 2
0.6433 Remote Similarity NPD1118 Discontinued
0.6409 Remote Similarity NPD2152 Clinical (unspecified phase)
0.6409 Remote Similarity NPD207 Discontinued
0.6398 Remote Similarity NPD7531 Clinical (unspecified phase)
0.6392 Remote Similarity NPD1430 Approved
0.6392 Remote Similarity NPD1431 Approved
0.6383 Remote Similarity NPD4459 Clinical (unspecified phase)
0.6383 Remote Similarity NPD4458 Phase 2
0.6345 Remote Similarity NPD5080 Phase 2
0.6333 Remote Similarity NPD281 Approved
0.6294 Remote Similarity NPD5079 Phase 2
0.6286 Remote Similarity NPD1816 Clinical (unspecified phase)
0.625 Remote Similarity NPD1127 Approved
0.625 Remote Similarity NPD1117 Clinical (unspecified phase)
0.625 Remote Similarity NPD1128 Approved
0.6224 Remote Similarity NPD9375 Discontinued
0.6216 Remote Similarity NPD9409 Discontinued
0.62 Remote Similarity NPD798 Discontinued
0.6139 Remote Similarity NPD6112 Approved
0.6124 Remote Similarity NPD6840 Approved
0.6122 Remote Similarity NPD8831 Approved
0.6122 Remote Similarity NPD8833 Approved
0.6105 Remote Similarity NPD2593 Clinical (unspecified phase)
0.6101 Remote Similarity NPD1808 Phase 1
0.6096 Remote Similarity NPD757 Phase 3
0.6094 Remote Similarity NPD5486 Discontinued
0.6078 Remote Similarity NPD515 Phase 1
0.6076 Remote Similarity NPD535 Approved
0.6076 Remote Similarity NPD1121 Approved
0.6076 Remote Similarity NPD1120 Approved
0.6048 Remote Similarity NPD7502 Clinical (unspecified phase)
0.6028 Remote Similarity NPD9626 Clinical (unspecified phase)
0.6026 Remote Similarity NPD8830 Phase 3
0.6014 Remote Similarity NPD9417 Phase 3
0.6014 Remote Similarity NPD9416 Phase 3
0.6 Remote Similarity NPD691 Discontinued
0.6 Remote Similarity NPD5458 Discontinued
0.5974 Remote Similarity NPD1085 Approved
0.5974 Remote Similarity NPD1775 Approved
0.5973 Remote Similarity NPD237 Clinical (unspecified phase)
0.596 Remote Similarity NPD2221 Clinical (unspecified phase)
0.5938 Remote Similarity NPD9551 Approved
0.5938 Remote Similarity NPD9550 Approved
0.5915 Remote Similarity NPD9704 Approved
0.5906 Remote Similarity NPD1368 Approved
0.5888 Remote Similarity NPD796 Phase 2
0.5867 Remote Similarity NPD9360 Approved
0.5867 Remote Similarity NPD578 Discontinued
0.586 Remote Similarity NPD3913 Clinical (unspecified phase)
0.5845 Remote Similarity NPD8250 Phase 2
0.5844 Remote Similarity NPD9544 Approved
0.5844 Remote Similarity NPD78 Approved
0.5833 Remote Similarity NPD1354 Approved
0.5833 Remote Similarity NPD1356 Approved
0.5833 Remote Similarity NPD1355 Clinical (unspecified phase)
0.5828 Remote Similarity NPD580 Discontinued
0.5814 Remote Similarity NPD3849 Clinical (unspecified phase)
0.5772 Remote Similarity NPD9406 Approved
0.5769 Remote Similarity NPD9366 Approved
0.5765 Remote Similarity NPD7842 Phase 2
0.5764 Remote Similarity NPD9291 Approved
0.5746 Remote Similarity NPD4089 Clinical (unspecified phase)
0.5743 Remote Similarity NPD9359 Approved
0.5743 Remote Similarity NPD9358 Approved
0.5742 Remote Similarity NPD579 Clinical (unspecified phase)
0.5728 Remote Similarity NPD4555 Clinical (unspecified phase)
0.5723 Remote Similarity NPD1017 Clinical (unspecified phase)
0.5676 Remote Similarity NPD5171 Clinical (unspecified phase)
0.5668 Remote Similarity NPD2457 Phase 2
0.5668 Remote Similarity NPD2456 Phase 2
0.5667 Remote Similarity NPD9582 Phase 3
0.5654 Remote Similarity NPD5627 Approved
0.5652 Remote Similarity NPD534 Phase 2
0.5652 Remote Similarity NPD537 Phase 2
0.5628 Remote Similarity NPD1915 Phase 1
0.5625 Remote Similarity NPD8837 Clinical (unspecified phase)
0.5613 Remote Similarity NPD4262 Discontinued
0.5612 Remote Similarity NPD5665 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   20279
ChEMBL   CHEMBL1619
ZINC  

Physicochemical Properties

Molecular Weight:  285.06
ALogP:  -1.7568
MLogP:  1.57
XLogP:  -0.692
# Rotatable Bonds:  6
Polar Surface Area:  119.31
# H-Bond Aceptor:  8
# H-Bond Donor:  3
# Rings:  3
# Heavy Atoms:  19

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Biological Activities  
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