Natural Product: NPC70940

Natural Product ID:  NPC70940
Common Name:   Dexibuprofen
IUPAC Name:   (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid
Synonyms:   Dexibuprofen; IBU-TAB; Neoprofen; Rufen; Seractil
Molecular Formula:   C13H18O2
Standard InCHIKey:  HEFNNWSXXWATRW-JTQLQIEISA-N
Standard InCHI:  InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1
Canonical SMILES:  CC(Cc1ccc(cc1)[C@@H](C(=O)O)C)C
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
NPO28276 Artemisia argyi Species Asteraceae Eukaryota TM-MC*
NPO10492 Artemisia montana Species Asteraceae Eukaryota TM-MC*
NPO25094 Artemisia princeps Species Asteraceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 7.08 mg/kg 15013005
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 2260 nM 15013005
NPT325 Individual Protein Cyclooxygenase-2 Ovis aries IC50 = 265500 nM 15013005
NPT3781 Protein Family Interleukin-8 receptors, CXCR1/CXCR2 Homo sapiens Inhibition = 34 % 15974585
NPT3782 Protein Family Prostaglandin G/H synthase (cyclooxygenase) Mus musculus Inhibition > 99 % 15974585
NPT3781 Protein Family Interleukin-8 receptors, CXCR1/CXCR2 Homo sapiens IC50 = 100 nM 15974585
NPT2749 Individual Protein Acetylcholinesterase Rattus norvegicus Inhibition = 20 % 17126019
NPT139 Cell Line HT-29 Homo sapiens IC50 > 1000000 nM 17110105
NPT83 Cell Line MCF7 Homo sapiens IC50 = 795000 nM 17110105
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens Inhibition = 90 % 17110105
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens Inhibition = 29 % 17110105
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 55.64 % 17481895
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens IC50 = 2600 nM 18457385
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 23.9 % 20804197
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 30.3 % 20804197
NPT2 Others Unspecified Ratio IC50 = 2.1 20804197
NPT325 Individual Protein Cyclooxygenase-2 Ovis aries IC50 = 1500 nM 20804197
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 3200 nM 20804197
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 2511.9 nM PubChem BioAssay data set
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae Potency = 14581 nM PubChem BioAssay data set
NPT210 Individual Protein Thyroid stimulating hormone receptor Homo sapiens Potency = 2511.9 nM PubChem BioAssay data set
NPT794 Individual Protein Endonuclease 4 Escherichia coli K-12 Potency = 251.2 nM PubChem BioAssay data set
NPT796 Individual Protein Peripheral myelin protein 22 Homo sapiens Potency = 84921.4 nM PubChem BioAssay data set
NPT54 Individual Protein Nonstructural protein 1 Influenza A virus Potency = 22387.2 nM PubChem BioAssay data set
NPT58 Individual Protein Bloom syndrome protein Homo sapiens Potency = 2.8 nM PubChem BioAssay data set
NPT212 Individual Protein Cytochrome P450 2C9 Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT212 Individual Protein Cytochrome P450 2C9 Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 35481.3 nM PubChem BioAssay data set
NPT212 Individual Protein Cytochrome P450 2C9 Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 0.7 nM PubChem BioAssay data set
NPT62 Individual Protein 6-phospho-1-fructokinase Trypanosoma brucei Potency 1901.2 nM PubChem BioAssay data set
NPT533 Protein-Protein Interaction Runt-related transcription factor 1/Core-binding factor subunit beta Homo sapiens Potency 7943.3 nM PubChem BioAssay data set
NPT212 Individual Protein Cytochrome P450 2C9 Homo sapiens AC50 = 39810.72 nM PubChem BioAssay data set
NPT212 Individual Protein Cytochrome P450 2C9 Homo sapiens AC50 = 15848.93 nM PubChem BioAssay data set
NPT2 Others Unspecified Ki = 44.4 nM 21802289
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT698 Individual Protein Regulator of G-protein signaling 4 Homo sapiens Potency 946.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3662.6 nM PubChem BioAssay data set
NPT694 Individual Protein UDP-glucuronosyltransferase 1-3 Homo sapiens Activity = 83 pm/min/mg 10836148
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens IC50 = 105 nM DrugMatrix in vitro pharmacology data
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens IC50 = 98.65 nM 21602044
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 730 nM 21602044
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 29.5 % 21602044
NPT32 Organism Mus musculus Mus musculus Inhibition = 68.7 % 21602044
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 1480 nM 21602044
NPT2 Others Unspecified Potency 10000 nM PubChem BioAssay data set
NPT3507 Individual Protein Aldo-keto reductase family 1 member C2 Homo sapiens IC50 = 42400 nM 22877157
NPT3504 Individual Protein Aldo-keto-reductase family 1 member C3 Homo sapiens IC50 = 32700 nM 22877157
NPT3506 Individual Protein Aldo-keto reductase family 1 member C4 Homo sapiens IC50 > 100000 nM 22877157
NPT3505 Individual Protein Aldo-keto reductase family 1 member C1 Homo sapiens IC50 > 100000 nM 22877157
NPT32 Organism Mus musculus Mus musculus Inhibition = 53 % 10.1007/s00044-011-9726-x
NPT160 Individual Protein TAR DNA-binding protein 43 Homo sapiens Potency 25118.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2984.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21313.8 nM PubChem BioAssay data set
NPT104 Individual Protein Cerebroside-sulfatase Homo sapiens Potency 151 nM PubChem BioAssay data set
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency 0.4 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 NPC70940 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 NPC274455
1.0 High Similarity NPC86670
0.9643 High Similarity NPC322387
0.9167 High Similarity NPC285773
0.908 High Similarity NPC329064
0.8941 High Similarity NPC44830
0.881 High Similarity NPC127343
0.8737 High Similarity NPC304873
0.8721 High Similarity NPC288903
0.8602 High Similarity NPC261947
0.8526 High Similarity NPC217621
0.8523 High Similarity NPC95965
0.8523 High Similarity NPC294134
0.8495 Intermediate Similarity NPC172925
0.8438 Intermediate Similarity NPC128248
0.8438 Intermediate Similarity NPC136810
0.8438 Intermediate Similarity NPC225079
0.8438 Intermediate Similarity NPC133809
0.8384 Intermediate Similarity NPC37914
0.8384 Intermediate Similarity NPC94751
0.8384 Intermediate Similarity NPC142326
0.837 Intermediate Similarity NPC86987
0.8351 Intermediate Similarity NPC25458
0.8316 Intermediate Similarity NPC253423
0.83 Intermediate Similarity NPC249811
0.8295 Intermediate Similarity NPC270507
0.8283 Intermediate Similarity NPC105899
0.8265 Intermediate Similarity NPC329556
0.8247 Intermediate Similarity NPC264728
0.8229 Intermediate Similarity NPC229242
0.8202 Intermediate Similarity NPC267704
0.8182 Intermediate Similarity NPC323103
0.8182 Intermediate Similarity NPC329282
0.8182 Intermediate Similarity NPC103387
0.8172 Intermediate Similarity NPC317645
0.8172 Intermediate Similarity NPC110704
0.8155 Intermediate Similarity NPC66208
0.8152 Intermediate Similarity NPC9822
0.814 Intermediate Similarity NPC103488
0.8125 Intermediate Similarity NPC477767
0.8125 Intermediate Similarity NPC226041
0.8065 Intermediate Similarity NPC84288
0.8061 Intermediate Similarity NPC473325
0.8058 Intermediate Similarity NPC475002
0.8058 Intermediate Similarity NPC95126
0.8041 Intermediate Similarity NPC120393
0.8021 Intermediate Similarity NPC469893
0.8021 Intermediate Similarity NPC61944
0.8 Intermediate Similarity NPC471721
0.7959 Intermediate Similarity NPC221825
0.7955 Intermediate Similarity NPC285716
0.7955 Intermediate Similarity NPC121800
0.7955 Intermediate Similarity NPC17408
0.7955 Intermediate Similarity NPC157055
0.7938 Intermediate Similarity NPC469891
0.7938 Intermediate Similarity NPC469890
0.7938 Intermediate Similarity NPC469892
0.7931 Intermediate Similarity NPC224544
0.7925 Intermediate Similarity NPC186933
0.7921 Intermediate Similarity NPC471186
0.79 Intermediate Similarity NPC255676
0.79 Intermediate Similarity NPC247976
0.7879 Intermediate Similarity NPC469481
0.7872 Intermediate Similarity NPC62765
0.7864 Intermediate Similarity NPC318327
0.7857 Intermediate Similarity NPC271475
0.7857 Intermediate Similarity NPC160548
0.7857 Intermediate Similarity NPC175852
0.7857 Intermediate Similarity NPC210529
0.7857 Intermediate Similarity NPC155429
0.7843 Intermediate Similarity NPC83409
0.7843 Intermediate Similarity NPC244933
0.7843 Intermediate Similarity NPC185763
0.7843 Intermediate Similarity NPC85560
0.7841 Intermediate Similarity NPC170484
0.7826 Intermediate Similarity NPC474211
0.78 Intermediate Similarity NPC475978
0.78 Intermediate Similarity NPC284477
0.78 Intermediate Similarity NPC474820
0.7791 Intermediate Similarity NPC189371
0.7778 Intermediate Similarity NPC7435
0.7778 Intermediate Similarity NPC230068
0.7757 Intermediate Similarity NPC221275
0.7745 Intermediate Similarity NPC172483
0.7736 Intermediate Similarity NPC93287
0.7723 Intermediate Similarity NPC160382
0.7723 Intermediate Similarity NPC274443
0.7717 Intermediate Similarity NPC474354
0.7714 Intermediate Similarity NPC474057
0.7708 Intermediate Similarity NPC323164
0.77 Intermediate Similarity NPC94487
0.77 Intermediate Similarity NPC282895
0.77 Intermediate Similarity NPC52472
0.767 Intermediate Similarity NPC100767
0.766 Intermediate Similarity NPC477704
0.766 Intermediate Similarity NPC477693
0.7647 Intermediate Similarity NPC19136
0.7647 Intermediate Similarity NPC472221
0.7647 Intermediate Similarity NPC472222
0.7642 Intermediate Similarity NPC292834
0.7634 Intermediate Similarity NPC93843
0.7634 Intermediate Similarity NPC318107
0.7624 Intermediate Similarity NPC222390
0.7624 Intermediate Similarity NPC244427
0.7615 Intermediate Similarity NPC212891
0.7614 Intermediate Similarity NPC298023
0.7609 Intermediate Similarity NPC168855
0.7604 Intermediate Similarity NPC141607
0.7604 Intermediate Similarity NPC187725
0.76 Intermediate Similarity NPC245561
0.76 Intermediate Similarity NPC203925
0.76 Intermediate Similarity NPC476042
0.76 Intermediate Similarity NPC146351
0.76 Intermediate Similarity NPC228435
0.7596 Intermediate Similarity NPC112903
0.7593 Intermediate Similarity NPC476357
0.7579 Intermediate Similarity NPC1793
0.7579 Intermediate Similarity NPC220893
0.7573 Intermediate Similarity NPC321670
0.7558 Intermediate Similarity NPC285679
0.7551 Intermediate Similarity NPC130398
0.7549 Intermediate Similarity NPC13426
0.7545 Intermediate Similarity NPC160199
0.7545 Intermediate Similarity NPC45794
0.7527 Intermediate Similarity NPC252067
0.7525 Intermediate Similarity NPC70624
0.7524 Intermediate Similarity NPC85493
0.75 Intermediate Similarity NPC109241
0.75 Intermediate Similarity NPC225060
0.75 Intermediate Similarity NPC477770
0.75 Intermediate Similarity NPC78701
0.75 Intermediate Similarity NPC317280
0.75 Intermediate Similarity NPC35448
0.75 Intermediate Similarity NPC153053
0.75 Intermediate Similarity NPC329387
0.7477 Intermediate Similarity NPC471188
0.7477 Intermediate Similarity NPC328694
0.7477 Intermediate Similarity NPC321852
0.7477 Intermediate Similarity NPC471189
0.7473 Intermediate Similarity NPC133050
0.7473 Intermediate Similarity NPC145053
0.7471 Intermediate Similarity NPC108218
0.7451 Intermediate Similarity NPC188895
0.7449 Intermediate Similarity NPC261181
0.7449 Intermediate Similarity NPC34243
0.7442 Intermediate Similarity NPC74458
0.7431 Intermediate Similarity NPC93181
0.7429 Intermediate Similarity NPC21929
0.7429 Intermediate Similarity NPC228737
0.7426 Intermediate Similarity NPC280869
0.7426 Intermediate Similarity NPC12730
0.7426 Intermediate Similarity NPC325497
0.7423 Intermediate Similarity NPC133461
0.7411 Intermediate Similarity NPC472708
0.7407 Intermediate Similarity NPC128368
0.7407 Intermediate Similarity NPC143768
0.7404 Intermediate Similarity NPC13495
0.74 Intermediate Similarity NPC270654
0.74 Intermediate Similarity NPC249912
0.74 Intermediate Similarity NPC324569
0.74 Intermediate Similarity NPC156021
0.74 Intermediate Similarity NPC276775
0.74 Intermediate Similarity NPC293628
0.74 Intermediate Similarity NPC92754
0.74 Intermediate Similarity NPC289201
0.74 Intermediate Similarity NPC10781
0.74 Intermediate Similarity NPC122493
0.7396 Intermediate Similarity NPC231591
0.7383 Intermediate Similarity NPC265513
0.7383 Intermediate Similarity NPC260818
0.7374 Intermediate Similarity NPC206764
0.7368 Intermediate Similarity NPC69057
0.7368 Intermediate Similarity NPC167323
0.7368 Intermediate Similarity NPC269923
0.7368 Intermediate Similarity NPC89377
0.7368 Intermediate Similarity NPC25168
0.7364 Intermediate Similarity NPC9274
0.7363 Intermediate Similarity NPC477703
0.7363 Intermediate Similarity NPC328178
0.7363 Intermediate Similarity NPC190567
0.7358 Intermediate Similarity NPC31274
0.7347 Intermediate Similarity NPC314690
0.7347 Intermediate Similarity NPC153885
0.7345 Intermediate Similarity NPC183339
0.7345 Intermediate Similarity NPC133389
0.7345 Intermediate Similarity NPC234337
0.734 Intermediate Similarity NPC475710
0.7339 Intermediate Similarity NPC294458
0.7333 Intermediate Similarity NPC50192
0.7333 Intermediate Similarity NPC317592
0.7327 Intermediate Similarity NPC260000
0.7327 Intermediate Similarity NPC145052
0.732 Intermediate Similarity NPC26224
0.732 Intermediate Similarity NPC258627
0.7315 Intermediate Similarity NPC82899
0.7315 Intermediate Similarity NPC280789
0.7315 Intermediate Similarity NPC270699
0.7312 Intermediate Similarity NPC197581
0.7308 Intermediate Similarity NPC31786
0.7297 Intermediate Similarity NPC158157

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC70940 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 NPD1086 Approved
1.0 High Similarity NPD1090 Approved
1.0 High Similarity NPD1089 Approved
0.9881 High Similarity NPD800 Approved
0.9767 High Similarity NPD1088 Approved
0.9643 High Similarity NPD1087 Approved
0.9545 High Similarity NPD1693 Approved
0.9205 High Similarity NPD1239 Approved
0.9167 High Similarity NPD9491 Approved
0.913 High Similarity NPD2066 Phase 3
0.9121 High Similarity NPD1566 Phase 3
0.9121 High Similarity NPD1565 Approved
0.9121 High Similarity NPD1564 Approved
0.8791 High Similarity NPD1563 Approved
0.8764 High Similarity NPD5347 Phase 2
0.8764 High Similarity NPD5346 Phase 2
0.8706 High Similarity NPD226 Approved
0.869 High Similarity NPD9490 Approved
0.8602 High Similarity NPD1989 Approved
0.8587 High Similarity NPD5122 Clinical (unspecified phase)
0.8539 High Similarity NPD4793 Discontinued
0.8495 Intermediate Similarity NPD688 Clinical (unspecified phase)
0.8353 Intermediate Similarity NPD227 Approved
0.8353 Intermediate Similarity NPD225 Approved
0.8265 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.8265 Intermediate Similarity NPD1929 Approved
0.8265 Intermediate Similarity NPD1930 Approved
0.8261 Intermediate Similarity NPD3672 Approved
0.8261 Intermediate Similarity NPD3673 Approved
0.798 Intermediate Similarity NPD1932 Approved
0.7872 Intermediate Similarity NPD9258 Approved
0.7872 Intermediate Similarity NPD9256 Approved
0.7864 Intermediate Similarity NPD2329 Discontinued
0.7857 Intermediate Similarity NPD9495 Approved
0.7857 Intermediate Similarity NPD253 Approved
0.7849 Intermediate Similarity NPD1101 Approved
0.783 Intermediate Similarity NPD1280 Clinical (unspecified phase)
0.7788 Intermediate Similarity NPD1317 Discontinued
0.7757 Intermediate Similarity NPD5951 Approved
0.7692 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7664 Intermediate Similarity NPD2652 Approved
0.7664 Intermediate Similarity NPD2650 Approved
0.7653 Intermediate Similarity NPD5206 Clinical (unspecified phase)
0.7647 Intermediate Similarity NPD5909 Discontinued
0.7634 Intermediate Similarity NPD9257 Approved
0.7634 Intermediate Similarity NPD9259 Approved
0.76 Intermediate Similarity NPD3097 Clinical (unspecified phase)
0.7547 Intermediate Similarity NPD3643 Approved
0.7547 Intermediate Similarity NPD3644 Approved
0.7547 Intermediate Similarity NPD3642 Approved
0.7449 Intermediate Similarity NPD1409 Phase 3
0.7449 Intermediate Similarity NPD1202 Approved
0.7449 Intermediate Similarity NPD1066 Discontinued
0.7431 Intermediate Similarity NPD2629 Approved
0.7411 Intermediate Similarity NPD1245 Approved
0.7407 Intermediate Similarity NPD1279 Clinical (unspecified phase)
0.74 Intermediate Similarity NPD9566 Approved
0.7383 Intermediate Similarity NPD4141 Clinical (unspecified phase)
0.7379 Intermediate Similarity NPD5738 Clinical (unspecified phase)
0.7379 Intermediate Similarity NPD6647 Phase 2
0.7379 Intermediate Similarity NPD5765 Approved
0.7345 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD6685 Approved
0.7308 Intermediate Similarity NPD164 Approved
0.729 Intermediate Similarity NPD1752 Approved
0.729 Intermediate Similarity NPD4233 Approved
0.729 Intermediate Similarity NPD4234 Approved
0.729 Intermediate Similarity NPD1756 Approved
0.7273 Intermediate Similarity NPD1246 Approved
0.7222 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7196 Intermediate Similarity NPD2182 Approved
0.7193 Intermediate Similarity NPD5306 Approved
0.7193 Intermediate Similarity NPD5305 Approved
0.7182 Intermediate Similarity NPD1370 Approved
0.7182 Intermediate Similarity NPD1371 Approved
0.7182 Intermediate Similarity NPD1374 Approved
0.7182 Intermediate Similarity NPD1373 Approved
0.7172 Intermediate Similarity NPD7631 Approved
0.7158 Intermediate Similarity NPD5734 Clinical (unspecified phase)
0.7156 Intermediate Similarity NPD9508 Approved
0.7143 Intermediate Similarity NPD1237 Approved
0.713 Intermediate Similarity NPD3646 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD5278 Discontinued
0.7128 Intermediate Similarity NPD3971 Phase 1
0.7117 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD4766 Approved
0.7113 Intermediate Similarity NPD531 Approved
0.7105 Intermediate Similarity NPD5981 Approved
0.7105 Intermediate Similarity NPD1855 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD4105 Approved
0.7105 Intermediate Similarity NPD4102 Approved
0.7091 Intermediate Similarity NPD181 Approved
0.7091 Intermediate Similarity NPD5277 Phase 2
0.7091 Intermediate Similarity NPD2607 Approved
0.7087 Intermediate Similarity NPD1238 Approved
0.7087 Intermediate Similarity NPD1067 Discontinued
0.7075 Intermediate Similarity NPD1018 Approved
0.7075 Intermediate Similarity NPD5048 Discontinued
0.7071 Intermediate Similarity NPD530 Approved
0.7071 Intermediate Similarity NPD7609 Phase 3
0.7069 Intermediate Similarity NPD4217 Approved
0.7069 Intermediate Similarity NPD2611 Approved
0.7069 Intermediate Similarity NPD4216 Approved
0.7069 Intermediate Similarity NPD3131 Approved
0.7069 Intermediate Similarity NPD4807 Approved
0.7069 Intermediate Similarity NPD4215 Approved
0.7069 Intermediate Similarity NPD4218 Approved
0.7069 Intermediate Similarity NPD3132 Approved
0.7069 Intermediate Similarity NPD2609 Approved
0.7069 Intermediate Similarity NPD2612 Approved
0.7069 Intermediate Similarity NPD4806 Approved
0.7069 Intermediate Similarity NPD2608 Approved
0.7069 Intermediate Similarity NPD2610 Approved
0.7064 Intermediate Similarity NPD189 Phase 3
0.7064 Intermediate Similarity NPD188 Approved
0.7059 Intermediate Similarity NPD3495 Discontinued
0.7043 Intermediate Similarity NPD2345 Approved
0.7034 Intermediate Similarity NPD1283 Approved
0.703 Intermediate Similarity NPD6048 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD9260 Approved
0.703 Intermediate Similarity NPD4814 Discontinued
0.703 Intermediate Similarity NPD6049 Phase 2
0.7027 Intermediate Similarity NPD3598 Phase 3
0.701 Intermediate Similarity NPD650 Approved
0.7009 Intermediate Similarity NPD467 Phase 1
0.7 Intermediate Similarity NPD9716 Approved
0.6991 Remote Similarity NPD4574 Approved
0.6991 Remote Similarity NPD4576 Approved
0.6989 Remote Similarity NPD1507 Clinical (unspecified phase)
0.6983 Remote Similarity NPD4135 Approved
0.6983 Remote Similarity NPD4106 Approved
0.6983 Remote Similarity NPD4136 Approved
0.6972 Remote Similarity NPD2067 Discontinued
0.6957 Remote Similarity NPD6994 Approved
0.6957 Remote Similarity NPD6993 Approved
0.6949 Remote Similarity NPD182 Clinical (unspecified phase)
0.6937 Remote Similarity NPD6858 Approved
0.6937 Remote Similarity NPD7094 Approved
0.6931 Remote Similarity NPD719 Approved
0.6931 Remote Similarity NPD720 Approved
0.6931 Remote Similarity NPD845 Approved
0.693 Remote Similarity NPD7610 Discontinued
0.6923 Remote Similarity NPD7798 Approved
0.6923 Remote Similarity NPD5618 Discontinued
0.6916 Remote Similarity NPD1040 Phase 2
0.6915 Remote Similarity NPD942 Approved
0.6903 Remote Similarity NPD255 Approved
0.6903 Remote Similarity NPD256 Approved
0.6903 Remote Similarity NPD4198 Discontinued
0.6897 Remote Similarity NPD1362 Clinical (unspecified phase)
0.6897 Remote Similarity NPD4199 Phase 3
0.6893 Remote Similarity NPD288 Approved
0.6881 Remote Similarity NPD476 Approved
0.687 Remote Similarity NPD4479 Discontinued
0.687 Remote Similarity NPD7009 Phase 2
0.6864 Remote Similarity NPD1608 Approved
0.6848 Remote Similarity NPD9294 Approved
0.6847 Remote Similarity NPD6912 Phase 3
0.6842 Remote Similarity NPD3797 Approved
0.6833 Remote Similarity NPD6563 Approved
0.6833 Remote Similarity NPD6564 Approved
0.6833 Remote Similarity NPD6565 Approved
0.6832 Remote Similarity NPD752 Approved
0.6796 Remote Similarity NPD844 Approved
0.6789 Remote Similarity NPD9267 Approved
0.6789 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6789 Remote Similarity NPD9264 Approved
0.6789 Remote Similarity NPD9263 Approved
0.678 Remote Similarity NPD1281 Approved
0.6774 Remote Similarity NPD7715 Approved
0.6774 Remote Similarity NPD7714 Approved
0.6765 Remote Similarity NPD3718 Approved
0.6765 Remote Similarity NPD3719 Approved
0.6762 Remote Similarity NPD3020 Approved
0.6752 Remote Similarity NPD3019 Approved
0.6752 Remote Similarity NPD2932 Approved
0.6748 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6748 Remote Similarity NPD7008 Discontinued
0.6729 Remote Similarity NPD5700 Clinical (unspecified phase)
0.6727 Remote Similarity NPD74 Approved
0.6727 Remote Similarity NPD9266 Approved
0.6726 Remote Similarity NPD1681 Approved
0.6726 Remote Similarity NPD6010 Discontinued
0.6726 Remote Similarity NPD1682 Approved
0.6726 Remote Similarity NPD1680 Approved
0.6724 Remote Similarity NPD3798 Phase 3
0.6721 Remote Similarity NPD3664 Approved
0.6721 Remote Similarity NPD3662 Phase 3
0.6721 Remote Similarity NPD3661 Approved
0.6721 Remote Similarity NPD3663 Approved
0.6699 Remote Similarity NPD1432 Clinical (unspecified phase)
0.6698 Remote Similarity NPD3135 Clinical (unspecified phase)
0.6696 Remote Similarity NPD5162 Approved
0.6696 Remote Similarity NPD9493 Approved
0.6696 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6695 Remote Similarity NPD4879 Approved
0.6694 Remote Similarity NPD2797 Approved
0.6667 Remote Similarity NPD5240 Approved
0.6667 Remote Similarity NPD5239 Approved
0.6667 Remote Similarity NPD9538 Approved

Structure

External Identifiers

PubChem CID   39912
ChEMBL   CHEMBL175
ZINC  

Physicochemical Properties

Molecular Weight:  206.13
ALogP:  0.9491
MLogP:  2.67
XLogP:  5.342
# Rotatable Bonds:  8
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  15

Download Data

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