Natural Product: NPC204156

Natural Product ID:  NPC204156
Common Name:   Oxyphenbutazone
IUPAC Name:   4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione
Synonyms:   Oxazolidin; Oxiphenbutazone; Oxyphenbutazone; Tandearil; Tanderil; Tanderil Chloramphen
Molecular Formula:   C19H20N2O3
Standard InCHIKey:  HFHZKZSRXITVMK-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3
Canonical SMILES:  CCCCC1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1
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
NPO19335 Rhizoma zingiberis praeparata NA NA NA TCMID*
NPO17274 Rhizoma zingiberis recens preparata NA NA NA TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT32 Organism Mus musculus Mus musculus Inhibition = 29 % 20299217
NPT32 Organism Mus musculus Mus musculus Inhibition > 20 % 20299217
NPT32 Organism Mus musculus Mus musculus Inhibition > 50 % 20299217
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 15000 nM 20185316
NPT2 Others Unspecified IC50 > 25000 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 3162.3 nM PubChem BioAssay data set
NPT537 Individual Protein Ras-related protein Rab-9A Homo sapiens Potency = 6309.6 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 5623.4 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 29092.9 nM PubChem BioAssay data set
NPT3 Individual Protein Thioredoxin glutathione reductase Schistosoma mansoni Potency = 10000 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 5623.4 nM PubChem BioAssay data set
NPT56 Individual Protein Beta-lactamase AmpC Escherichia coli K-12 Potency = 44668.4 nM PubChem BioAssay data set
NPT151 Individual Protein 15-hydroxyprostaglandin dehydrogenase [NAD+] Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 4466.8 nM PubChem BioAssay data set
NPT539 Individual Protein Cellular tumor antigen p53 Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 25118.9 nM PubChem BioAssay data set
NPT532 Individual Protein Lysine-specific demethylase 4A Homo sapiens Potency 56234.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29092.9 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 25929 nM PubChem BioAssay data set
NPT2865 Individual Protein Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase Plasmodium berghei IC50 = 12500 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 18348.9 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 3548.1 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 17782.8 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 11220.2 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 5221.3 nM PubChem BioAssay data set
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT905 Individual Protein Glucose-6-phosphate 1-dehydrogenase Homo sapiens IC50 > 80000 nM PubChem BioAssay data set
NPT1083 Cell Line A-375 Homo sapiens AC50 > 35000 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 7943.3 nM PubChem BioAssay data set
NPT8 Individual Protein DNA polymerase iota Homo sapiens Potency 17782.8 nM PubChem BioAssay data set
NPT65 Cell Line HepG2 Homo sapiens Potency 8912.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 891.3 nM PubChem BioAssay data set
NPT2865 Individual Protein Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase Plasmodium berghei IC50 > 80000 nM PubChem BioAssay data set
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 5623.4 nM PubChem BioAssay data set
NPT484 Individual Protein Luciferin 4-monooxygenase Photinus pyralis Potency 37933 nM PubChem BioAssay data set
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 56234.1 nM PubChem BioAssay data set
NPT702 Individual Protein UDP-glucuronosyltransferase 1-6 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT703 Individual Protein UDP-glucuronosyltransferase 1-9 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 7943.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21192.3 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 6513.1 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 15848.9 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 14125.4 nM PubChem BioAssay data set
NPT666 Individual Protein Solute carrier family 22 member 6 Rattus norvegicus Ki = 32000 nM 10220563
NPT10 Individual Protein Geminin Homo sapiens Potency 8199.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11220.2 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 10691 nM PubChem BioAssay data set
NPT477 Individual Protein DNA dC->dU-editing enzyme APOBEC-3G Homo sapiens Potency 3162.3 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 6633 nM PubChem BioAssay data set
NPT4253 Individual Protein Beta Lactamase Pseudomonas aeruginosa IC50 43545 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10000 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 3162.3 nM PubChem BioAssay data set
NPT478 Individual Protein Ataxin-2 Homo sapiens Potency 7943.3 nM PubChem BioAssay data set
NPT101 Individual Protein Glucagon-like peptide 1 receptor Homo sapiens Potency 12589.3 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 6309.6 nM PubChem BioAssay data set
NPT1853 Individual Protein Putative uncharacterized protein Trypanosoma brucei brucei (strain 927/4 GUTat10.1) Potency 14125.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4109.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 580.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7176.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5173.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1032.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10137.4 nM PubChem BioAssay data set
NPT160 Individual Protein TAR DNA-binding protein 43 Homo sapiens Potency 1000 nM PubChem BioAssay data set
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Potency 2909.3 nM PubChem BioAssay data set
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 83.15 % 23571415
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 42.04 % 23571415
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 11455.4 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 12744.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 33488.9 nM PubChem BioAssay data set
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 12744.8 nM PubChem BioAssay data set
NPT535 Individual Protein Parathyroid hormone receptor Homo sapiens Potency 17782.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29847 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 35481.3 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 29847 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3592 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 33488.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3201.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10209.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11876 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 9099.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11455.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 26832.5 nM PubChem BioAssay data set
NPT831 Individual Protein Serine/threonine-protein kinase PLK1 Homo sapiens Potency 23778.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5692.9 nM PubChem BioAssay data set
NPT11 Individual Protein Guanine nucleotide-binding protein G(s), subunit alpha Homo sapiens Potency 12589.3 nM PubChem BioAssay data set
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency 125.9 nM PubChem BioAssay data set
NPT162 Individual Protein Heat shock protein beta-1 Homo sapiens Potency 3348.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5073.8 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 9850 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8912.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 14299.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2818.4 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 20000 nM PubChem BioAssay data set
NPT74 Individual Protein Proto-oncogene c-JUN Homo sapiens Potency 9520.5 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 39810.7 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 10000 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 4918.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 239.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2660.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 33491.5 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 8826.44 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 1662.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3757.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 39810.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8485.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 9439.2 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 3293.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11883.2 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 28183.8 nM PubChem BioAssay data set

  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 NPC204156 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
0.75 Intermediate Similarity NPC146370
0.7134 Intermediate Similarity NPC144691
0.709 Intermediate Similarity NPC76327
0.6951 Remote Similarity NPC199737
0.6909 Remote Similarity NPC292143
0.6909 Remote Similarity NPC139506
0.6805 Remote Similarity NPC126676
0.6805 Remote Similarity NPC469671
0.6767 Remote Similarity NPC70201
0.6761 Remote Similarity NPC150308
0.6747 Remote Similarity NPC289776
0.6747 Remote Similarity NPC191863
0.6747 Remote Similarity NPC133470
0.6706 Remote Similarity NPC474814
0.6706 Remote Similarity NPC112336
0.669 Remote Similarity NPC222982
0.6686 Remote Similarity NPC33507
0.6667 Remote Similarity NPC47986
0.6667 Remote Similarity NPC91615
0.6619 Remote Similarity NPC255721
0.6607 Remote Similarity NPC204867
0.6594 Remote Similarity NPC44836
0.6587 Remote Similarity NPC93653
0.6571 Remote Similarity NPC9336
0.6561 Remote Similarity NPC315051
0.6556 Remote Similarity NPC5630
0.6552 Remote Similarity NPC474081
0.655 Remote Similarity NPC471778
0.6543 Remote Similarity NPC300596
0.6543 Remote Similarity NPC237649
0.6536 Remote Similarity NPC257390
0.6527 Remote Similarity NPC471122
0.6519 Remote Similarity NPC92803
0.6512 Remote Similarity NPC471648
0.6503 Remote Similarity NPC198401
0.65 Remote Similarity NPC18890
0.65 Remote Similarity NPC323798
0.6494 Remote Similarity NPC475607
0.6486 Remote Similarity NPC268348
0.6477 Remote Similarity NPC39822
0.6471 Remote Similarity NPC120251
0.646 Remote Similarity NPC16188
0.6456 Remote Similarity NPC150712
0.6442 Remote Similarity NPC257142
0.6437 Remote Similarity NPC475594
0.6434 Remote Similarity NPC264782
0.6433 Remote Similarity NPC471652
0.642 Remote Similarity NPC475761
0.6415 Remote Similarity NPC314113
0.6384 Remote Similarity NPC166169
0.6374 Remote Similarity NPC471124
0.6369 Remote Similarity NPC122542
0.6369 Remote Similarity NPC302235
0.6369 Remote Similarity NPC469428
0.6359 Remote Similarity NPC470485
0.6353 Remote Similarity NPC476231
0.6352 Remote Similarity NPC242933
0.6346 Remote Similarity NPC184437
0.6343 Remote Similarity NPC470548
0.6335 Remote Similarity NPC308197
0.6331 Remote Similarity NPC301163
0.6331 Remote Similarity NPC103250
0.6329 Remote Similarity NPC316574
0.6328 Remote Similarity NPC474041
0.6328 Remote Similarity NPC474815
0.6325 Remote Similarity NPC284348
0.6316 Remote Similarity NPC250476
0.6313 Remote Similarity NPC471785
0.631 Remote Similarity NPC315257
0.6306 Remote Similarity NPC473360
0.6304 Remote Similarity NPC311660
0.6303 Remote Similarity NPC233702
0.6292 Remote Similarity NPC271792
0.6289 Remote Similarity NPC469828
0.6286 Remote Similarity NPC73280
0.6286 Remote Similarity NPC477185
0.6284 Remote Similarity NPC321869
0.628 Remote Similarity NPC254798
0.6279 Remote Similarity NPC471130
0.6277 Remote Similarity NPC326792
0.6273 Remote Similarity NPC470090
0.6271 Remote Similarity NPC477187
0.6266 Remote Similarity NPC109580
0.6265 Remote Similarity NPC202198
0.6264 Remote Similarity NPC21425
0.6264 Remote Similarity NPC469915
0.6259 Remote Similarity NPC256838
0.6258 Remote Similarity NPC231382
0.6258 Remote Similarity NPC314098
0.6257 Remote Similarity NPC88970
0.6257 Remote Similarity NPC472117
0.625 Remote Similarity NPC203628
0.625 Remote Similarity NPC470483
0.625 Remote Similarity NPC476989
0.6243 Remote Similarity NPC138830
0.6242 Remote Similarity NPC253476
0.6242 Remote Similarity NPC242000
0.6237 Remote Similarity NPC276517
0.6226 Remote Similarity NPC242159
0.6226 Remote Similarity NPC313694
0.6222 Remote Similarity NPC314659
0.6221 Remote Similarity NPC313757
0.6201 Remote Similarity NPC298320
0.6196 Remote Similarity NPC260601
0.6196 Remote Similarity NPC474059
0.6185 Remote Similarity NPC299582
0.6175 Remote Similarity NPC473815
0.6169 Remote Similarity NPC218323
0.6167 Remote Similarity NPC197335
0.6167 Remote Similarity NPC270301
0.6163 Remote Similarity NPC475983
0.6163 Remote Similarity NPC315498
0.6163 Remote Similarity NPC230942
0.6159 Remote Similarity NPC125852
0.6158 Remote Similarity NPC127178
0.6149 Remote Similarity NPC472115
0.6149 Remote Similarity NPC472243
0.6149 Remote Similarity NPC472114
0.6139 Remote Similarity NPC266425
0.6134 Remote Similarity NPC53344
0.6134 Remote Similarity NPC478075
0.6131 Remote Similarity NPC469928
0.6129 Remote Similarity NPC473004
0.6127 Remote Similarity NPC20322
0.6125 Remote Similarity NPC166667
0.6124 Remote Similarity NPC129624
0.6121 Remote Similarity NPC9373
0.6117 Remote Similarity NPC303214
0.6115 Remote Similarity NPC313466
0.6111 Remote Similarity NPC5167
0.6111 Remote Similarity NPC22082
0.6111 Remote Similarity NPC475685
0.6111 Remote Similarity NPC85613
0.6111 Remote Similarity NPC186284
0.6108 Remote Similarity NPC473569
0.6105 Remote Similarity NPC309531
0.6105 Remote Similarity NPC27904
0.6105 Remote Similarity NPC472102
0.6098 Remote Similarity NPC473804
0.6096 Remote Similarity NPC322735
0.6095 Remote Similarity NPC36168
0.6093 Remote Similarity NPC473050
0.6093 Remote Similarity NPC473051
0.6092 Remote Similarity NPC70172
0.6087 Remote Similarity NPC75496
0.6085 Remote Similarity NPC472542
0.6085 Remote Similarity NPC472541
0.6084 Remote Similarity NPC315829
0.6081 Remote Similarity NPC147957
0.6077 Remote Similarity NPC288305
0.6074 Remote Similarity NPC476462
0.6074 Remote Similarity NPC472241
0.6071 Remote Similarity NPC154602
0.6069 Remote Similarity NPC472101
0.6069 Remote Similarity NPC472120
0.6065 Remote Similarity NPC476950
0.6064 Remote Similarity NPC243626
0.6064 Remote Similarity NPC93390
0.6064 Remote Similarity NPC230313
0.6061 Remote Similarity NPC119569
0.6057 Remote Similarity NPC182131
0.6056 Remote Similarity NPC188677
0.6056 Remote Similarity NPC88363
0.6054 Remote Similarity NPC329190
0.6053 Remote Similarity NPC138615
0.6053 Remote Similarity NPC100863
0.6053 Remote Similarity NPC132874
0.6053 Remote Similarity NPC265642
0.6053 Remote Similarity NPC218733
0.6051 Remote Similarity NPC270918
0.6051 Remote Similarity NPC16249
0.6049 Remote Similarity NPC314252
0.6048 Remote Similarity NPC473491
0.6045 Remote Similarity NPC85482
0.6039 Remote Similarity NPC472244
0.6039 Remote Similarity NPC171372
0.6039 Remote Similarity NPC470343
0.6037 Remote Similarity NPC168750
0.6036 Remote Similarity NPC285381
0.6034 Remote Similarity NPC189116
0.6033 Remote Similarity NPC262725
0.6032 Remote Similarity NPC470787
0.6032 Remote Similarity NPC472540
0.6032 Remote Similarity NPC472539
0.6032 Remote Similarity NPC472193
0.6031 Remote Similarity NPC14339
0.603 Remote Similarity NPC74562
0.603 Remote Similarity NPC316181
0.603 Remote Similarity NPC151781
0.6028 Remote Similarity NPC8931
0.6028 Remote Similarity NPC120693
0.6028 Remote Similarity NPC261573
0.6026 Remote Similarity NPC150863
0.6026 Remote Similarity NPC17374
0.6026 Remote Similarity NPC209389
0.6025 Remote Similarity NPC126637
0.6023 Remote Similarity NPC29285
0.6023 Remote Similarity NPC477889
0.6022 Remote Similarity NPC70092
0.6022 Remote Similarity NPC283810

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC204156 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 NPD3391 Approved
0.8077 Intermediate Similarity NPD3387 Approved
0.7786 Intermediate Similarity NPD3865 Approved
0.7671 Intermediate Similarity NPD6636 Phase 3
0.7548 Intermediate Similarity NPD5639 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD3141 Discontinued
0.7444 Intermediate Similarity NPD9376 Approved
0.7436 Intermediate Similarity NPD3229 Phase 2
0.7415 Intermediate Similarity NPD2791 Discontinued
0.7413 Intermediate Similarity NPD9723 Approved
0.709 Intermediate Similarity NPD9507 Approved
0.7083 Intermediate Similarity NPD1544 Phase 1
0.7078 Intermediate Similarity NPD4430 Phase 2
0.7039 Intermediate Similarity NPD822 Approved
0.703 Intermediate Similarity NPD5823 Approved
0.7012 Intermediate Similarity NPD6533 Clinical (unspecified phase)
0.695 Remote Similarity NPD313 Approved
0.6941 Remote Similarity NPD5334 Clinical (unspecified phase)
0.6923 Remote Similarity NPD7449 Clinical (unspecified phase)
0.6923 Remote Similarity NPD7324 Discontinued
0.6815 Remote Similarity NPD1196 Approved
0.6784 Remote Similarity NPD2361 Approved
0.6779 Remote Similarity NPD5442 Approved
0.677 Remote Similarity NPD3277 Phase 3
0.6752 Remote Similarity NPD1195 Approved
0.6739 Remote Similarity NPD3416 Discontinued
0.6725 Remote Similarity NPD2359 Approved
0.6709 Remote Similarity NPD2241 Approved
0.6703 Remote Similarity NPD4423 Clinical (unspecified phase)
0.6687 Remote Similarity NPD1543 Discontinued
0.6686 Remote Similarity NPD6457 Approved
0.6667 Remote Similarity NPD1168 Approved
0.6667 Remote Similarity NPD1342 Approved
0.6647 Remote Similarity NPD3793 Phase 3
0.6646 Remote Similarity NPD2820 Phase 3
0.6629 Remote Similarity NPD5637 Discontinued
0.6627 Remote Similarity NPD5294 Clinical (unspecified phase)
0.6608 Remote Similarity NPD1913 Phase 1
0.659 Remote Similarity NPD5603 Clinical (unspecified phase)
0.6588 Remote Similarity NPD7126 Discontinued
0.6584 Remote Similarity NPD2114 Discontinued
0.6582 Remote Similarity NPD5719 Approved
0.6582 Remote Similarity NPD2365 Approved
0.6571 Remote Similarity NPD5445 Approved
0.655 Remote Similarity NPD1839 Phase 1
0.6543 Remote Similarity NPD4161 Discontinued
0.6525 Remote Similarity NPD308 Approved
0.6522 Remote Similarity NPD3278 Clinical (unspecified phase)
0.6522 Remote Similarity NPD6884 Clinical (unspecified phase)
0.6522 Remote Similarity NPD6161 Approved
0.6522 Remote Similarity NPD6162 Approved
0.6519 Remote Similarity NPD2327 Clinical (unspecified phase)
0.6467 Remote Similarity NPD6320 Approved
0.6453 Remote Similarity NPD1161 Approved
0.6453 Remote Similarity NPD5186 Approved
0.6453 Remote Similarity NPD5183 Approved
0.6436 Remote Similarity NPD7071 Clinical (unspecified phase)
0.6434 Remote Similarity NPD1175 Approved
0.6432 Remote Similarity NPD5515 Phase 2
0.6424 Remote Similarity NPD1678 Clinical (unspecified phase)
0.6407 Remote Similarity NPD4201 Clinical (unspecified phase)
0.6407 Remote Similarity NPD2672 Discontinued
0.6407 Remote Similarity NPD2469 Approved
0.6407 Remote Similarity NPD2468 Approved
0.6405 Remote Similarity NPD1271 Clinical (unspecified phase)
0.64 Remote Similarity NPD6645 Clinical (unspecified phase)
0.6395 Remote Similarity NPD3984 Clinical (unspecified phase)
0.6395 Remote Similarity NPD3983 Phase 3
0.6386 Remote Similarity NPD5086 Approved
0.637 Remote Similarity NPD2638 Clinical (unspecified phase)
0.6369 Remote Similarity NPD7735 Clinical (unspecified phase)
0.6364 Remote Similarity NPD1170 Approved
0.6354 Remote Similarity NPD4515 Suspended
0.6345 Remote Similarity NPD9342 Approved
0.6341 Remote Similarity NPD4888 Discontinued
0.6337 Remote Similarity NPD6767 Clinical (unspecified phase)
0.6335 Remote Similarity NPD1625 Approved
0.6335 Remote Similarity NPD2129 Approved
0.6331 Remote Similarity NPD4514 Approved
0.6331 Remote Similarity NPD6283 Phase 2
0.6331 Remote Similarity NPD156 Phase 3
0.6329 Remote Similarity NPD9279 Approved
0.6319 Remote Similarity NPD5179 Approved
0.6319 Remote Similarity NPD5180 Approved
0.6319 Remote Similarity NPD5181 Approved
0.6312 Remote Similarity NPD7752 Approved
0.6312 Remote Similarity NPD7753 Approved
0.629 Remote Similarity NPD7880 Clinical (unspecified phase)
0.6282 Remote Similarity NPD7086 Phase 2
0.6277 Remote Similarity NPD479 Approved
0.6275 Remote Similarity NPD850 Approved
0.6275 Remote Similarity NPD849 Approved
0.6275 Remote Similarity NPD848 Approved
0.6273 Remote Similarity NPD1189 Approved
0.6272 Remote Similarity NPD3812 Clinical (unspecified phase)
0.6272 Remote Similarity NPD3784 Discontinued
0.6271 Remote Similarity NPD5600 Discontinued
0.6269 Remote Similarity NPD3853 Clinical (unspecified phase)
0.6259 Remote Similarity NPD254 Approved
0.625 Remote Similarity NPD7174 Clinical (unspecified phase)
0.6243 Remote Similarity NPD8167 Discontinued
0.6243 Remote Similarity NPD6344 Clinical (unspecified phase)
0.6243 Remote Similarity NPD6021 Clinical (unspecified phase)
0.6243 Remote Similarity NPD6163 Clinical (unspecified phase)
0.6242 Remote Similarity NPD5556 Clinical (unspecified phase)
0.6235 Remote Similarity NPD4464 Clinical (unspecified phase)
0.6235 Remote Similarity NPD6060 Clinical (unspecified phase)
0.623 Remote Similarity NPD6608 Clinical (unspecified phase)
0.6225 Remote Similarity NPD522 Approved
0.6213 Remote Similarity NPD2366 Approved
0.6211 Remote Similarity NPD3625 Discontinued
0.6211 Remote Similarity NPD7083 Clinical (unspecified phase)
0.6207 Remote Similarity NPD6379 Discontinued
0.6203 Remote Similarity NPD5548 Clinical (unspecified phase)
0.6203 Remote Similarity NPD5582 Discontinued
0.6201 Remote Similarity NPD6654 Clinical (unspecified phase)
0.6199 Remote Similarity NPD4311 Approved
0.6196 Remote Similarity NPD7617 Discontinued
0.6194 Remote Similarity NPD2919 Clinical (unspecified phase)
0.6194 Remote Similarity NPD2918 Clinical (unspecified phase)
0.6186 Remote Similarity NPD2916 Discontinued
0.6185 Remote Similarity NPD4796 Discontinued
0.6183 Remote Similarity NPD4539 Phase 1
0.6183 Remote Similarity NPD5610 Approved
0.6178 Remote Similarity NPD1594 Phase 3
0.6178 Remote Similarity NPD1595 Approved
0.6176 Remote Similarity NPD1861 Discovery
0.6173 Remote Similarity NPD4597 Approved
0.6173 Remote Similarity NPD4598 Approved
0.6169 Remote Similarity NPD5993 Phase 1
0.6168 Remote Similarity NPD8330 Clinical (unspecified phase)
0.6163 Remote Similarity NPD1743 Approved
0.6163 Remote Similarity NPD19 Approved
0.6163 Remote Similarity NPD1742 Approved
0.6163 Remote Similarity NPD4871 Phase 2
0.6162 Remote Similarity NPD5871 Discontinued
0.6159 Remote Similarity NPD4775 Clinical (unspecified phase)
0.6159 Remote Similarity NPD4178 Approved
0.6159 Remote Similarity NPD4176 Approved
0.6159 Remote Similarity NPD6017 Discontinued
0.6145 Remote Similarity NPD3239 Clinical (unspecified phase)
0.6141 Remote Similarity NPD8025 Phase 2
0.6139 Remote Similarity NPD1393 Approved
0.6139 Remote Similarity NPD756 Suspended
0.6129 Remote Similarity NPD3479 Discontinued
0.6127 Remote Similarity NPD1054 Approved
0.6127 Remote Similarity NPD3453 Discontinued
0.6121 Remote Similarity NPD1305 Clinical (unspecified phase)
0.6118 Remote Similarity NPD4255 Phase 1
0.6118 Remote Similarity NPD2789 Approved
0.6111 Remote Similarity NPD3434 Clinical (unspecified phase)
0.6111 Remote Similarity NPD6211 Clinical (unspecified phase)
0.6111 Remote Similarity NPD6293 Clinical (unspecified phase)
0.6108 Remote Similarity NPD6136 Phase 2
0.6108 Remote Similarity NPD5928 Phase 1
0.6105 Remote Similarity NPD5599 Discontinued
0.6102 Remote Similarity NPD6365 Clinical (unspecified phase)
0.6101 Remote Similarity NPD2470 Clinical (unspecified phase)
0.6098 Remote Similarity NPD6506 Clinical (unspecified phase)
0.6098 Remote Similarity NPD2387 Approved
0.6098 Remote Similarity NPD5819 Phase 2
0.6098 Remote Similarity NPD4347 Clinical (unspecified phase)
0.6094 Remote Similarity NPD6795 Clinical (unspecified phase)
0.6089 Remote Similarity NPD3449 Discontinued
0.6087 Remote Similarity NPD1626 Approved
0.608 Remote Similarity NPD5847 Phase 1
0.608 Remote Similarity NPD4562 Clinical (unspecified phase)
0.6076 Remote Similarity NPD6740 Clinical (unspecified phase)
0.6071 Remote Similarity NPD1230 Approved
0.6059 Remote Similarity NPD948 Phase 3
0.6054 Remote Similarity NPD286 Approved
0.6054 Remote Similarity NPD5620 Clinical (unspecified phase)
0.6053 Remote Similarity NPD3151 Clinical (unspecified phase)
0.6051 Remote Similarity NPD4781 Approved
0.6051 Remote Similarity NPD3118 Clinical (unspecified phase)
0.6051 Remote Similarity NPD4497 Clinical (unspecified phase)
0.6051 Remote Similarity NPD1314 Clinical (unspecified phase)
0.6051 Remote Similarity NPD4783 Approved
0.6047 Remote Similarity NPD2842 Clinical (unspecified phase)
0.6045 Remote Similarity NPD4083 Discontinued
0.6045 Remote Similarity NPD3975 Discontinued
0.6043 Remote Similarity NPD5937 Approved
0.6037 Remote Similarity NPD5024 Approved
0.6034 Remote Similarity NPD6383 Clinical (unspecified phase)
0.6034 Remote Similarity NPD6384 Phase 2
0.6031 Remote Similarity NPD6138 Clinical (unspecified phase)
0.6029 Remote Similarity NPD6209 Approved
0.6025 Remote Similarity NPD4077 Clinical (unspecified phase)
0.6023 Remote Similarity NPD4205 Phase 3
0.6023 Remote Similarity NPD7105 Phase 1
0.6023 Remote Similarity NPD2821 Approved
0.6023 Remote Similarity NPD1187 Discontinued
0.6022 Remote Similarity NPD4081 Clinical (unspecified phase)
0.6022 Remote Similarity NPD5896 Clinical (unspecified phase)
0.602 Remote Similarity NPD4154 Approved
0.6012 Remote Similarity NPD3556 Approved
0.6012 Remote Similarity NPD3558 Approved
0.6012 Remote Similarity NPD3560 Approved
0.6012 Remote Similarity NPD9509 Clinical (unspecified phase)
0.6012 Remote Similarity NPD3557 Approved

Structure

External Identifiers

PubChem CID   4641
ChEMBL   CHEMBL1228
ZINC  

Physicochemical Properties

Molecular Weight:  324.15
ALogP:  -2.1437
MLogP:  3
XLogP:  4.49
# Rotatable Bonds:  7
Polar Surface Area:  60.85
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  24

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Structure MOL file  
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Biological Activities  
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