Natural Product: NPC317400

Natural Product ID:  NPC317400
Common Name:   Tolbutamide
IUPAC Name:   1-butyl-3-(4-methylphenyl)sulfonylurea
Synonyms:   Glyconon; Orinase; Pramidex; Rastinon; Tolbutamide
Molecular Formula:   C12H18N2O3S
Standard InCHIKey:  JLRGJRBPOGGCBT-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)
Canonical SMILES:  CCCCN=C(NS(=O)(=O)c1ccc(cc1)C)O
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
NPO1797 Homo sapiens Species Hominidae Eukaryota DOI[10.1038/nbt.2488]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT29 Organism Rattus norvegicus Rattus norvegicus IC50 > 500000 nM 6345781
NPT29 Organism Rattus norvegicus Rattus norvegicus ED20 = 0.056 mM kg-1 6864736
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 300 umol/kg 6864736
NPT29 Organism Rattus norvegicus Rattus norvegicus ED20 > 1 mM kg-1 6864736
NPT212 Individual Protein Cytochrome P450 2C9 Homo sapiens Ki = 70000 nM 10956186
NPT604 Individual Protein Serum albumin Homo sapiens Ki = 3.98E+13 nM 15801837
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 152.6 mg/dl 17249729
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 130.5 mg/dl 17249729
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 114.9 mg/dl 17249729
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 138.1 mg/dl 17249729
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 106.3 mg/dl 17249729
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 99.5 mg/dl 17249729
NPT2 Others Unspecified Activity = 19.9 pg/hr 17339113
NPT2 Others Unspecified Activity = 27.1 pg/hr 17339113
NPT2 Others Unspecified Activity = 19.9 pg/microg/hr 17583514
NPT2 Others Unspecified Activity = 19.6 pg/microg/hr 17583514
NPT2 Others Unspecified Activity = 26 pg/microg/hr 17583514
NPT2 Others Unspecified Activity = 27.1 pg/microg/hr 17583514
NPT2 Others Unspecified Activity = 20 pg/hr 17723306
NPT2 Others Unspecified Activity = 21.4 pg/hr 17723306
NPT2 Others Unspecified Activity = 35.2 pg/hr 17723306
NPT2 Others Unspecified Activity = 19.7 pg/hr 17723306
NPT2 Others Unspecified Activity = 20.7 pg/hr 17723306
NPT2 Others Unspecified Activity = 34.4 pg/hr 17723306
NPT2217 Individual Protein Cytochrome P450 51 Homo sapiens IC50 > 200000 nM 17194716
NPT604 Individual Protein Serum albumin Homo sapiens Kd = 6025.6 nM 18348514
NPT32 Organism Mus musculus Mus musculus Activity = 0.16 ug 9214731
NPT32 Organism Mus musculus Mus musculus Activity = 0.17 ug 9214731
NPT32 Organism Mus musculus Mus musculus Activity = 0.495 ug 9214731
NPT32 Organism Mus musculus Mus musculus Activity = 0.37 ug 9214731
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 7.8 umol/ml 15165145
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 6.3 umol/ml 15165145
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 5.9 umol/ml 15165145
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 5.2 umol/ml 15165145
NPT419 Organism Oryctolagus cuniculus Oryctolagus cuniculus Activity = 104.2 mg% 6512531
NPT419 Organism Oryctolagus cuniculus Oryctolagus cuniculus Activity = 129 mg% 6512531
NPT419 Organism Oryctolagus cuniculus Oryctolagus cuniculus Activity = 154.3 mg% 6512531
NPT419 Organism Oryctolagus cuniculus Oryctolagus cuniculus Activity = 125.2 mg% 6512531
NPT419 Organism Oryctolagus cuniculus Oryctolagus cuniculus Activity = 104 mg% 6512531
NPT419 Organism Oryctolagus cuniculus Oryctolagus cuniculus Activity = 95.1 mg% 6512531
NPT419 Organism Oryctolagus cuniculus Oryctolagus cuniculus Activity = 44.1 % 6512531
NPT605 Organism Homo sapiens Homo sapiens Activity = 0.85 % 20022146
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 223.9 nM PubChem BioAssay data set
NPT210 Individual Protein Thyroid stimulating hormone receptor Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT50 Individual Protein Tyrosyl-DNA phosphodiesterase 1 Homo sapiens Potency = 15848.9 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 = 12589.3 nM PubChem BioAssay data set
NPT150 Individual Protein Anthrax lethal factor Bacillus anthracis Potency = 3981.1 nM PubChem BioAssay data set
NPT95 Individual Protein Muscarinic acetylcholine receptor M1 Rattus norvegicus Potency = 28.2 nM PubChem BioAssay data set
NPT666 Individual Protein Solute carrier family 22 member 6 Rattus norvegicus Ki = 55500 nM 21571536
NPT604 Individual Protein Serum albumin Homo sapiens Activity = 0 % 20869876
NPT604 Individual Protein Serum albumin Homo sapiens Activity = 9 % 20869876
NPT604 Individual Protein Serum albumin Homo sapiens Activity = 5 % 20869876
NPT604 Individual Protein Serum albumin Homo sapiens Activity = 8.5 % 20869876
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 16944.1 nM PubChem BioAssay data set
NPT249 Individual Protein Glucocorticoid receptor Homo sapiens Potency 25118.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 631 nM PubChem BioAssay data set
NPT546 Individual Protein Retinoid X receptor alpha Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT752 Individual Protein Solute carrier organic anion transporter family member 1A1 Rattus norvegicus Activity = 32.9 % 11883641
NPT305 Individual Protein Solute carrier organic anion transporter family member 1A4 Rattus norvegicus Activity = 47.3 % 11883641
NPT666 Individual Protein Solute carrier family 22 member 6 Rattus norvegicus Ki = 55500 nM 10854830
NPT10 Individual Protein Geminin Homo sapiens Potency 1412.5 nM PubChem BioAssay data set
NPT622 Individual Protein Solute carrier organic anion transporter family member 2B1 Homo sapiens Inhibition = 15.5 % 22541068
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 5.8 % 22541068
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 9.1 % 22541068
NPT2 Others Unspecified Activity = 5.45 % 22565215
NPT2 Others Unspecified Activity = 4.98 % 22565215
NPT2 Others Unspecified Activity = 2.22 % 22565215
NPT2 Others Unspecified Activity = 2.97 % 22565215
NPT2 Others Unspecified Activity = 2.76 % 22565215
NPT2 Others Unspecified Activity = 3.2 nmol 22565215
NPT177 Tissue Aorta Rattus norvegicus EC50 = 1600 nM 22565215
NPT2 Others Unspecified Inhibition = 6.4 % 22565215
NPT2 Others Unspecified Potency 29092.9 nM PubChem BioAssay data set
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 125.25 % 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 99.86 % 23571415
NPT2 Others Unspecified Potency 33488.9 nM PubChem BioAssay data set
NPT105 Individual Protein Muscleblind-like protein 1 Homo sapiens Potency 63095.7 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 952.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61644.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 27306 nM PubChem BioAssay data set
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency 12.6 nM PubChem BioAssay data set
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 28 % 448683
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 47 % 448683
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 48 % 448683
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 28 % 15114
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 47 % 15114
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 48 % 15114
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 28 % 850242
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 47 % 850242
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 48 % 850242
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 41 % 1255659
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 43 % 1255659
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 29 % 1255659
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 16 % 1255659
NPT619 Individual Protein Serum albumin Rattus norvegicus Kd = 7970 nM 21071520
NPT712 Individual Protein Bile salt export pump Rattus norvegicus IC50 > 1000000 nM 21965623
NPT713 Individual Protein Bile salt export pump Homo sapiens IC50 > 1000000 nM 21965623
NPT2 Others Unspecified AC50 290 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 8912.5 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 316.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24212.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54665.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15355.3 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 281.8 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 35481.3 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 28183.8 nM PubChem BioAssay data set
NPT993 Cell Line Hepatocyte Mus musculus FC = 1.4 27346791
NPT993 Cell Line Hepatocyte Mus musculus FC = 1.8 27346791

  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 NPC317400 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
0.7473 Intermediate Similarity NPC35599
0.7473 Intermediate Similarity NPC302129
0.7236 Intermediate Similarity NPC32858
0.7236 Intermediate Similarity NPC194857
0.7115 Intermediate Similarity NPC471320
0.7115 Intermediate Similarity NPC471319
0.7019 Intermediate Similarity NPC108339
0.6774 Remote Similarity NPC244738
0.6667 Remote Similarity NPC14326
0.6667 Remote Similarity NPC471638
0.6639 Remote Similarity NPC476440
0.6634 Remote Similarity NPC3210
0.6571 Remote Similarity NPC245259
0.6526 Remote Similarity NPC299134
0.6505 Remote Similarity NPC473031
0.6476 Remote Similarity NPC172128
0.6442 Remote Similarity NPC12429
0.6421 Remote Similarity NPC212463
0.6408 Remote Similarity NPC203076
0.6396 Remote Similarity NPC328793
0.6392 Remote Similarity NPC139658
0.6389 Remote Similarity NPC161972
0.6389 Remote Similarity NPC303045
0.6383 Remote Similarity NPC229235
0.6381 Remote Similarity NPC470877
0.6354 Remote Similarity NPC122327
0.6354 Remote Similarity NPC112609
0.6354 Remote Similarity NPC113000
0.6344 Remote Similarity NPC181786
0.633 Remote Similarity NPC25565
0.6321 Remote Similarity NPC78041
0.6321 Remote Similarity NPC121872
0.6321 Remote Similarity NPC141139
0.6321 Remote Similarity NPC471307
0.6321 Remote Similarity NPC209764
0.6321 Remote Similarity NPC159178
0.6321 Remote Similarity NPC74936
0.6303 Remote Similarity NPC476048
0.63 Remote Similarity NPC475573
0.63 Remote Similarity NPC475289
0.6289 Remote Similarity NPC276699
0.6275 Remote Similarity NPC474088
0.6273 Remote Similarity NPC473501
0.6273 Remote Similarity NPC475439
0.6263 Remote Similarity NPC12857
0.6262 Remote Similarity NPC226438
0.6239 Remote Similarity NPC58674
0.623 Remote Similarity NPC254088
0.6224 Remote Similarity NPC271642
0.6211 Remote Similarity NPC219246
0.6162 Remote Similarity NPC98269
0.6162 Remote Similarity NPC325662
0.6162 Remote Similarity NPC290638
0.6147 Remote Similarity NPC471309
0.6147 Remote Similarity NPC7067
0.6139 Remote Similarity NPC309279
0.6139 Remote Similarity NPC192623
0.6134 Remote Similarity NPC181390
0.6134 Remote Similarity NPC475013
0.6132 Remote Similarity NPC325441
0.6126 Remote Similarity NPC33168
0.6126 Remote Similarity NPC311242
0.6122 Remote Similarity NPC98976
0.6121 Remote Similarity NPC327481
0.6075 Remote Similarity NPC315403
0.6055 Remote Similarity NPC473661
0.6038 Remote Similarity NPC53492
0.6038 Remote Similarity NPC198747
0.6034 Remote Similarity NPC143516
0.6019 Remote Similarity NPC258627
0.6019 Remote Similarity NPC316108
0.6 Remote Similarity NPC164859
0.6 Remote Similarity NPC469330
0.5983 Remote Similarity NPC474973
0.5983 Remote Similarity NPC474804
0.5983 Remote Similarity NPC130898
0.5981 Remote Similarity NPC262393
0.5979 Remote Similarity NPC121708
0.5979 Remote Similarity NPC125144
0.5962 Remote Similarity NPC119677
0.5955 Remote Similarity NPC269586
0.5948 Remote Similarity NPC88267
0.5948 Remote Similarity NPC113326
0.5948 Remote Similarity NPC224610
0.5948 Remote Similarity NPC194390
0.5922 Remote Similarity NPC231986
0.5913 Remote Similarity NPC329375
0.5909 Remote Similarity NPC265521
0.5905 Remote Similarity NPC169016
0.5905 Remote Similarity NPC133162
0.5895 Remote Similarity NPC52330
0.5889 Remote Similarity NPC120441
0.5889 Remote Similarity NPC300345
0.5889 Remote Similarity NPC65873
0.5889 Remote Similarity NPC212114
0.5882 Remote Similarity NPC473676
0.5877 Remote Similarity NPC12730
0.5872 Remote Similarity NPC78154
0.587 Remote Similarity NPC210849
0.587 Remote Similarity NPC45255
0.5862 Remote Similarity NPC474430
0.5862 Remote Similarity NPC202613
0.5862 Remote Similarity NPC471317
0.5856 Remote Similarity NPC322040
0.5855 Remote Similarity NPC208280
0.5847 Remote Similarity NPC45033
0.5847 Remote Similarity NPC471447
0.5843 Remote Similarity NPC149436
0.5843 Remote Similarity NPC277704
0.5833 Remote Similarity NPC78954
0.5833 Remote Similarity NPC239931
0.5833 Remote Similarity NPC82770
0.5826 Remote Similarity NPC469457
0.5824 Remote Similarity NPC8235
0.582 Remote Similarity NPC474584
0.5816 Remote Similarity NPC155429
0.5812 Remote Similarity NPC275467
0.5812 Remote Similarity NPC469974
0.5789 Remote Similarity NPC36440
0.5785 Remote Similarity NPC319579
0.5781 Remote Similarity NPC273830
0.5778 Remote Similarity NPC198841
0.5761 Remote Similarity NPC147062
0.5761 Remote Similarity NPC169110
0.5752 Remote Similarity NPC3371
0.5745 Remote Similarity NPC50266
0.5741 Remote Similarity NPC60408
0.5741 Remote Similarity NPC17497
0.5741 Remote Similarity NPC305602
0.5738 Remote Similarity NPC329011
0.5728 Remote Similarity NPC469894
0.5726 Remote Similarity NPC471310
0.5726 Remote Similarity NPC178902
0.5714 Remote Similarity NPC71140
0.5714 Remote Similarity NPC300455
0.5714 Remote Similarity NPC231705
0.5714 Remote Similarity NPC474974
0.5702 Remote Similarity NPC324569
0.5702 Remote Similarity NPC293628
0.5702 Remote Similarity NPC472788
0.5702 Remote Similarity NPC122493
0.5702 Remote Similarity NPC10781
0.5702 Remote Similarity NPC472258
0.5699 Remote Similarity NPC248705
0.5699 Remote Similarity NPC310758
0.5699 Remote Similarity NPC54368
0.5699 Remote Similarity NPC150196
0.5699 Remote Similarity NPC238023
0.5699 Remote Similarity NPC135924
0.5684 Remote Similarity NPC155172
0.5684 Remote Similarity NPC198023
0.5684 Remote Similarity NPC32312
0.5682 Remote Similarity NPC477937
0.568 Remote Similarity NPC197470
0.567 Remote Similarity NPC311343
0.5667 Remote Similarity NPC142297
0.5664 Remote Similarity NPC215351
0.5664 Remote Similarity NPC20142
0.566 Remote Similarity NPC146703
0.566 Remote Similarity NPC104070
0.5657 Remote Similarity NPC208302
0.5652 Remote Similarity NPC114327
0.5652 Remote Similarity NPC226096
0.5652 Remote Similarity NPC108606
0.5652 Remote Similarity NPC164514
0.5652 Remote Similarity NPC36357
0.5652 Remote Similarity NPC64270
0.5652 Remote Similarity NPC290515
0.5652 Remote Similarity NPC303611
0.5648 Remote Similarity NPC258046
0.5644 Remote Similarity NPC206800
0.5644 Remote Similarity NPC189371
0.5644 Remote Similarity NPC32203
0.5641 Remote Similarity NPC318154
0.5641 Remote Similarity NPC327226
0.5638 Remote Similarity NPC29680
0.5638 Remote Similarity NPC22786
0.5636 Remote Similarity NPC107135
0.5635 Remote Similarity NPC2265
0.5631 Remote Similarity NPC50192
0.563 Remote Similarity NPC67043
0.563 Remote Similarity NPC211551
0.5625 Remote Similarity NPC178527
0.5619 Remote Similarity NPC242628
0.5612 Remote Similarity NPC200936
0.5612 Remote Similarity NPC98880
0.5612 Remote Similarity NPC5324

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC317400 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 NPD838 Approved
0.9775 High Similarity NPD837 Approved
0.8788 High Similarity NPD1406 Approved
0.8365 Intermediate Similarity NPD1747 Approved
0.8365 Intermediate Similarity NPD1746 Approved
0.8 Intermediate Similarity NPD9186 Approved
0.8 Intermediate Similarity NPD9184 Approved
0.7946 Intermediate Similarity NPD1727 Approved
0.78 Intermediate Similarity NPD234 Approved
0.7236 Intermediate Similarity NPD6076 Approved
0.7236 Intermediate Similarity NPD6075 Approved
0.6917 Remote Similarity NPD2131 Approved
0.6881 Remote Similarity NPD557 Discovery
0.681 Remote Similarity NPD2635 Clinical (unspecified phase)
0.6794 Remote Similarity NPD3126 Approved
0.6774 Remote Similarity NPD9728 Phase 1
0.6759 Remote Similarity NPD4737 Phase 2
0.6759 Remote Similarity NPD1796 Phase 3
0.6699 Remote Similarity NPD1629 Approved
0.6699 Remote Similarity NPD1628 Approved
0.6697 Remote Similarity NPD1795 Discontinued
0.6667 Remote Similarity NPD9304 Approved
0.6667 Remote Similarity NPD1812 Approved
0.6667 Remote Similarity NPD4674 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1814 Approved
0.6667 Remote Similarity NPD9538 Approved
0.6585 Remote Similarity NPD6041 Phase 1
0.6583 Remote Similarity NPD3675 Clinical (unspecified phase)
0.6577 Remote Similarity NPD1387 Phase 1
0.6571 Remote Similarity NPD530 Approved
0.6557 Remote Similarity NPD4651 Clinical (unspecified phase)
0.6557 Remote Similarity NPD542 Phase 1
0.6552 Remote Similarity NPD4991 Discontinued
0.6538 Remote Similarity NPD297 Approved
0.6538 Remote Similarity NPD9 Approved
0.6504 Remote Similarity NPD804 Clinical (unspecified phase)
0.6486 Remote Similarity NPD1386 Phase 1
0.6481 Remote Similarity NPD2507 Clinical (unspecified phase)
0.6476 Remote Similarity NPD4728 Approved
0.6476 Remote Similarity NPD2811 Clinical (unspecified phase)
0.6475 Remote Similarity NPD1104 Approved
0.6455 Remote Similarity NPD9353 Approved
0.6449 Remote Similarity NPD1080 Approved
0.6449 Remote Similarity NPD1409 Phase 3
0.6446 Remote Similarity NPD2756 Clinical (unspecified phase)
0.6436 Remote Similarity NPD423 Phase 3
0.6417 Remote Similarity NPD1596 Approved
0.6415 Remote Similarity NPD1007 Discontinued
0.6396 Remote Similarity NPD9248 Phase 1
0.6389 Remote Similarity NPD1081 Clinical (unspecified phase)
0.6356 Remote Similarity NPD5662 Approved
0.6356 Remote Similarity NPD5661 Approved
0.6354 Remote Similarity NPD9590 Approved
0.6354 Remote Similarity NPD9594 Approved
0.6354 Remote Similarity NPD9591 Approved
0.6354 Remote Similarity NPD80 Approved
0.6354 Remote Similarity NPD9593 Approved
0.6354 Remote Similarity NPD9588 Approved
0.6354 Remote Similarity NPD9592 Approved
0.6354 Remote Similarity NPD9589 Approved
0.6333 Remote Similarity NPD1944 Phase 2
0.6311 Remote Similarity NPD483 Approved
0.6306 Remote Similarity NPD784 Discontinued
0.6283 Remote Similarity NPD5655 Clinical (unspecified phase)
0.6273 Remote Similarity NPD9352 Approved
0.6263 Remote Similarity NPD295 Approved
0.6263 Remote Similarity NPD293 Approved
0.6263 Remote Similarity NPD296 Approved
0.625 Remote Similarity NPD305 Approved
0.625 Remote Similarity NPD304 Approved
0.6239 Remote Similarity NPD9188 Approved
0.6228 Remote Similarity NPD2980 Phase 2
0.6214 Remote Similarity NPD785 Approved
0.621 Remote Similarity NPD2338 Clinical (unspecified phase)
0.6204 Remote Similarity NPD752 Approved
0.6204 Remote Similarity NPD6690 Approved
0.62 Remote Similarity NPD590 Approved
0.62 Remote Similarity NPD589 Approved
0.619 Remote Similarity NPD187 Approved
0.6186 Remote Similarity NPD505 Clinical (unspecified phase)
0.6182 Remote Similarity NPD3832 Clinical (unspecified phase)
0.6182 Remote Similarity NPD157 Clinical (unspecified phase)
0.6179 Remote Similarity NPD5569 Clinical (unspecified phase)
0.6167 Remote Similarity NPD1656 Phase 2
0.6162 Remote Similarity NPD603 Approved
0.6162 Remote Similarity NPD4144 Approved
0.6162 Remote Similarity NPD4147 Approved
0.6161 Remote Similarity NPD1067 Discontinued
0.6148 Remote Similarity NPD4660 Discontinued
0.6147 Remote Similarity NPD197 Approved
0.6147 Remote Similarity NPD199 Approved
0.6146 Remote Similarity NPD292 Approved
0.6146 Remote Similarity NPD294 Approved
0.6129 Remote Similarity NPD4163 Clinical (unspecified phase)
0.6129 Remote Similarity NPD759 Approved
0.6117 Remote Similarity NPD831 Approved
0.6117 Remote Similarity NPD830 Approved
0.6116 Remote Similarity NPD2543 Discontinued
0.6116 Remote Similarity NPD1813 Discontinued
0.6106 Remote Similarity NPD4760 Clinical (unspecified phase)
0.6103 Remote Similarity NPD1261 Approved
0.61 Remote Similarity NPD9397 Approved
0.61 Remote Similarity NPD9393 Approved
0.6098 Remote Similarity NPD6360 Discontinued
0.6095 Remote Similarity NPD1697 Approved
0.6091 Remote Similarity NPD4814 Discontinued
0.609 Remote Similarity NPD5272 Discontinued
0.6087 Remote Similarity NPD3407 Phase 3
0.6078 Remote Similarity NPD472 Approved
0.6077 Remote Similarity NPD767 Phase 1
0.6077 Remote Similarity NPD4006 Discontinued
0.6075 Remote Similarity NPD9351 Phase 3
0.6075 Remote Similarity NPD9350 Approved
0.6075 Remote Similarity NPD9108 Approved
0.6075 Remote Similarity NPD9349 Approved
0.6075 Remote Similarity NPD9348 Approved
0.6071 Remote Similarity NPD1724 Approved
0.6068 Remote Similarity NPD1824 Discontinued
0.6063 Remote Similarity NPD964 Approved
0.6058 Remote Similarity NPD1938 Clinical (unspecified phase)
0.6053 Remote Similarity NPD4119 Approved
0.6045 Remote Similarity NPD5780 Phase 2
0.6045 Remote Similarity NPD1384 Approved
0.604 Remote Similarity NPD1053 Approved
0.604 Remote Similarity NPD1052 Approved
0.604 Remote Similarity NPD1051 Approved
0.6036 Remote Similarity NPD2895 Discontinued
0.6034 Remote Similarity NPD564 Approved
0.6034 Remote Similarity NPD563 Approved
0.6016 Remote Similarity NPD3907 Clinical (unspecified phase)
0.6 Remote Similarity NPD719 Approved
0.6 Remote Similarity NPD720 Approved
0.6 Remote Similarity NPD1396 Approved
0.6 Remote Similarity NPD492 Approved
0.5985 Remote Similarity NPD5246 Clinical (unspecified phase)
0.5984 Remote Similarity NPD4478 Clinical (unspecified phase)
0.5982 Remote Similarity NPD528 Clinical (unspecified phase)
0.598 Remote Similarity NPD5372 Approved
0.598 Remote Similarity NPD260 Discontinued
0.598 Remote Similarity NPD5371 Approved
0.5971 Remote Similarity NPD5432 Phase 2
0.5971 Remote Similarity NPD6240 Phase 3
0.5965 Remote Similarity NPD6354 Discontinued
0.5962 Remote Similarity NPD2001 Discontinued
0.5954 Remote Similarity NPD7828 Discontinued
0.5941 Remote Similarity NPD9563 Approved
0.5941 Remote Similarity NPD9564 Approved
0.5941 Remote Similarity NPD79 Approved
0.5935 Remote Similarity NPD224 Phase 2
0.5932 Remote Similarity NPD2243 Clinical (unspecified phase)
0.5929 Remote Similarity NPD4117 Approved
0.5923 Remote Similarity NPD572 Clinical (unspecified phase)
0.5922 Remote Similarity NPD4026 Approved
0.5922 Remote Similarity NPD3035 Approved
0.5922 Remote Similarity NPD4027 Approved
0.592 Remote Similarity NPD430 Discontinued
0.592 Remote Similarity NPD1094 Approved
0.5913 Remote Similarity NPD1540 Approved
0.5913 Remote Similarity NPD1417 Approved
0.5913 Remote Similarity NPD1419 Approved
0.5909 Remote Similarity NPD1974 Clinical (unspecified phase)
0.5905 Remote Similarity NPD3429 Approved
0.5905 Remote Similarity NPD9395 Approved
0.5905 Remote Similarity NPD3427 Approved
0.5897 Remote Similarity NPD5717 Approved
0.5897 Remote Similarity NPD1040 Phase 2
0.5893 Remote Similarity NPD3457 Approved
0.5893 Remote Similarity NPD3458 Approved
0.5893 Remote Similarity NPD3456 Approved
0.5893 Remote Similarity NPD3093 Approved
0.5888 Remote Similarity NPD783 Approved
0.5888 Remote Similarity NPD780 Approved
0.5888 Remote Similarity NPD782 Approved
0.5888 Remote Similarity NPD4145 Approved
0.5888 Remote Similarity NPD2002 Discontinued
0.5888 Remote Similarity NPD3426 Approved
0.5888 Remote Similarity NPD3428 Approved
0.5888 Remote Similarity NPD781 Approved
0.5888 Remote Similarity NPD4146 Approved
0.5882 Remote Similarity NPD507 Approved
0.5882 Remote Similarity NPD508 Approved
0.5877 Remote Similarity NPD4007 Approved
0.5877 Remote Similarity NPD4008 Approved
0.5873 Remote Similarity NPD653 Discontinued
0.5865 Remote Similarity NPD4169 Approved
0.5865 Remote Similarity NPD4170 Approved
0.5865 Remote Similarity NPD4701 Clinical (unspecified phase)
0.5862 Remote Similarity NPD1542 Approved
0.5862 Remote Similarity NPD2244 Clinical (unspecified phase)
0.5862 Remote Similarity NPD744 Clinical (unspecified phase)
0.5859 Remote Similarity NPD3151 Clinical (unspecified phase)
0.5856 Remote Similarity NPD243 Approved
0.5856 Remote Similarity NPD8 Approved
0.5856 Remote Similarity NPD3718 Approved
0.5856 Remote Similarity NPD3719 Approved
0.5855 Remote Similarity NPD5623 Approved
0.5851 Remote Similarity NPD173 Clinical (unspecified phase)
0.5849 Remote Similarity NPD2205 Approved
0.5849 Remote Similarity NPD2208 Approved
0.5841 Remote Similarity NPD2487 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   5505
ChEMBL   CHEMBL782
ZINC  

Physicochemical Properties

Molecular Weight:  270.10
ALogP:  -0.595
MLogP:  2.12
XLogP:  3.36
# Rotatable Bonds:  9
Polar Surface Area:  87.14
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  18

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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