Natural Product: NPC95868

Natural Product ID:  NPC95868
Common Name:   2,3-Diphenylcycloprop-2-En-1-One
IUPAC Name:   2,3-diphenylcycloprop-2-en-1-one
Synonyms:  
Molecular Formula:   C15H10O
Standard InCHIKey:  HCIBTBXNLVOFER-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C15H10O/c16-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10H
Canonical SMILES:  O=C1C(=C1c1ccccc1)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
NPO20610 Mosla dianthera Species Lamiaceae Eukaryota HerDing*
NPO20728 Pinus rigida Species Pinaceae Eukaryota HerDing*
NPO22273 Angelica pubescens Species Apiaceae Eukaryota TCM_Taiwan*
NPO22273 Angelica pubescens Species Apiaceae Eukaryota HerDing*
NPO2345 Coriandrum sativum Species Apiaceae Eukaryota HerDing*
NPO28295 Foeniculum vulgare Species Apiaceae Eukaryota HerDing*
NPO7730 Commiphora myrrha Species Burseraceae Eukaryota HerDing*
NPO16710 Pandanus tectorius Species Pandanaceae Eukaryota TCMID*
NPO14048 Cryptotaenia japonica Species Apiaceae Eukaryota TCMID*
NPO20728 Pinus rigida Species Pinaceae Eukaryota TCMID*
NPO12467 Cephalanthus occidentalis Species Rubiaceae Eukaryota TCMID*
NPO10906 Pinus koraiensis Species Pinaceae Eukaryota TCMID*
NPO2345 Coriandrum sativum Species Apiaceae Eukaryota TCMID*
NPO20610 Mosla dianthera Species Lamiaceae Eukaryota TCMID*
NPO22273 Angelica pubescens Species Apiaceae Eukaryota TCMID*
NPO7730 Commiphora myrrha Species Burseraceae Eukaryota TCMID*
NPO17333.1 Valeriana officinalis var. latifolia Varieties Caprifoliaceae Eukaryota TCMID*
NPO28295 Foeniculum vulgare Species Apiaceae Eukaryota TCMID*
NPO15315 Boswellia carterii Species Burseraceae Eukaryota TCMID*
NPO29546 Eriobotryae folium NA NA NA TCMSP*
NPO13103 Radix angelicae biseratae Species Lymnaeidae Eukaryota TCMSP*
NPO10906 Pinus koraiensis Species Pinaceae Eukaryota HerDing*
NPO12467 Cephalanthus occidentalis Species Rubiaceae Eukaryota HerDing*
NPO14048 Cryptotaenia japonica Species Apiaceae Eukaryota HerDing*
NPO15315 Boswellia carterii Species Burseraceae Eukaryota HerDing*
NPO16710 Pandanus tectorius Species Pandanaceae Eukaryota HerDing*
NPO17333.1 Valeriana officinalis var. latifolia Varieties Caprifoliaceae Eukaryota HerDing*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 35481.3 nM PubChem BioAssay data set
NPT1197 Individual Protein Huntingtin Homo sapiens Potency = 14125.4 nM PubChem BioAssay data set
NPT536 Uncleic Acid microRNA 21 Homo sapiens Potency = 14689.2 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 35481.3 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 22387.2 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 794.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 20596.2 nM PubChem BioAssay data set
NPT3 Individual Protein Thioredoxin glutathione reductase Schistosoma mansoni Potency = 3548.1 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 35481.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11220.2 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 5358.2 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 6745.6 nM PubChem BioAssay data set
NPT484 Individual Protein Luciferin 4-monooxygenase Photinus pyralis Potency 37933 nM PubChem BioAssay data set
NPT445 Individual Protein Peripheral myelin protein 22 Rattus norvegicus Potency 22370.3 nM PubChem BioAssay data set
NPT445 Individual Protein Peripheral myelin protein 22 Rattus norvegicus Potency 3219.7 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 33498.3 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 5956.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4731.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5309.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 26832.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 33488.9 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 15089 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 21131.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 33491.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 18833.6 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 33488.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5955.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 9438.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 23710.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7079.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24791 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 13332.2 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 5308 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11985.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 23914.5 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 26832.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21313.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4730.8 nM PubChem BioAssay data set
NPT162 Individual Protein Heat shock protein beta-1 Homo sapiens Potency 16784.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 18832.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 14125.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29849.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11882.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3757.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 37578 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 13333.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3981.1 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 3790.2 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 5623.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6007 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 10000 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 3620.1 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 4207.89 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4771.6 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 7706.92 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10590.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4216.3 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 6754.8 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 1685.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1344.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11883.2 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 3835.3 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 3101.2 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 39810.7 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 NPC95868 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
0.9351 High Similarity NPC273033
0.9351 High Similarity NPC12936
0.9221 High Similarity NPC71664
0.9114 High Similarity NPC273758
0.9091 High Similarity NPC151405
0.9091 High Similarity NPC139901
0.9079 High Similarity NPC9796
0.8846 High Similarity NPC272260
0.8831 High Similarity NPC245966
0.88 High Similarity NPC285679
0.8734 High Similarity NPC190567
0.8718 High Similarity NPC36342
0.8718 High Similarity NPC2785
0.8718 High Similarity NPC285470
0.8675 High Similarity NPC69057
0.8667 High Similarity NPC74458
0.8625 High Similarity NPC145053
0.8608 High Similarity NPC300205
0.8571 High Similarity NPC267262
0.85 High Similarity NPC477703
0.85 High Similarity NPC17408
0.85 High Similarity NPC285716
0.85 High Similarity NPC164086
0.8471 Intermediate Similarity NPC418308
0.8471 Intermediate Similarity NPC113307
0.8434 Intermediate Similarity NPC123476
0.8372 Intermediate Similarity NPC19256
0.8372 Intermediate Similarity NPC277277
0.8354 Intermediate Similarity NPC179726
0.825 Intermediate Similarity NPC103488
0.8205 Intermediate Similarity NPC208075
0.8193 Intermediate Similarity NPC215008
0.8171 Intermediate Similarity NPC73978
0.8158 Intermediate Similarity NPC98880
0.814 Intermediate Similarity NPC157778
0.8118 Intermediate Similarity NPC160339
0.8118 Intermediate Similarity NPC307
0.809 Intermediate Similarity NPC289883
0.8077 Intermediate Similarity NPC271437
0.8052 Intermediate Similarity NPC95289
0.8046 Intermediate Similarity NPC325709
0.8026 Intermediate Similarity NPC311343
0.8025 Intermediate Similarity NPC76455
0.8025 Intermediate Similarity NPC137847
0.8023 Intermediate Similarity NPC43945
0.8 Intermediate Similarity NPC472880
0.7978 Intermediate Similarity NPC59677
0.7976 Intermediate Similarity NPC197581
0.7976 Intermediate Similarity NPC324624
0.7955 Intermediate Similarity NPC173413
0.7901 Intermediate Similarity NPC298023
0.7901 Intermediate Similarity NPC329318
0.7889 Intermediate Similarity NPC34243
0.7865 Intermediate Similarity NPC133461
0.7865 Intermediate Similarity NPC284475
0.7865 Intermediate Similarity NPC103346
0.7841 Intermediate Similarity NPC231591
0.7791 Intermediate Similarity NPC252067
0.7778 Intermediate Similarity NPC155232
0.7778 Intermediate Similarity NPC188844
0.7778 Intermediate Similarity NPC323420
0.7778 Intermediate Similarity NPC153885
0.7778 Intermediate Similarity NPC1682
0.7778 Intermediate Similarity NPC78500
0.7765 Intermediate Similarity NPC39600
0.7753 Intermediate Similarity NPC67585
0.7753 Intermediate Similarity NPC110420
0.7753 Intermediate Similarity NPC303967
0.7742 Intermediate Similarity NPC49994
0.7738 Intermediate Similarity NPC100039
0.7727 Intermediate Similarity NPC477693
0.7727 Intermediate Similarity NPC477704
0.7717 Intermediate Similarity NPC12695
0.7717 Intermediate Similarity NPC185208
0.7717 Intermediate Similarity NPC219573
0.7703 Intermediate Similarity NPC246588
0.7692 Intermediate Similarity NPC238219
0.7667 Intermediate Similarity NPC141607
0.7667 Intermediate Similarity NPC187725
0.764 Intermediate Similarity NPC298115
0.7634 Intermediate Similarity NPC103048
0.7634 Intermediate Similarity NPC239185
0.7619 Intermediate Similarity NPC157055
0.7609 Intermediate Similarity NPC260233
0.7586 Intermediate Similarity NPC95965
0.7579 Intermediate Similarity NPC472879
0.7553 Intermediate Similarity NPC134882
0.7528 Intermediate Similarity NPC153308
0.7528 Intermediate Similarity NPC473345
0.75 Intermediate Similarity NPC113670
0.75 Intermediate Similarity NPC164526
0.75 Intermediate Similarity NPC326200
0.7473 Intermediate Similarity NPC476484
0.7468 Intermediate Similarity NPC169222
0.7468 Intermediate Similarity NPC235059
0.7468 Intermediate Similarity NPC16190
0.7447 Intermediate Similarity NPC289201
0.7447 Intermediate Similarity NPC265220
0.7444 Intermediate Similarity NPC9822
0.7442 Intermediate Similarity NPC230068
0.7432 Intermediate Similarity NPC36357
0.7432 Intermediate Similarity NPC114327
0.7423 Intermediate Similarity NPC329556
0.7419 Intermediate Similarity NPC206764
0.7416 Intermediate Similarity NPC194326
0.7412 Intermediate Similarity NPC127343
0.7396 Intermediate Similarity NPC109514
0.7396 Intermediate Similarity NPC476993
0.7391 Intermediate Similarity NPC77273
0.7368 Intermediate Similarity NPC75724
0.7368 Intermediate Similarity NPC22786
0.7363 Intermediate Similarity NPC58872
0.7356 Intermediate Similarity NPC285773
0.7356 Intermediate Similarity NPC44830
0.7356 Intermediate Similarity NPC149263
0.7356 Intermediate Similarity NPC288903
0.7347 Intermediate Similarity NPC249067
0.7312 Intermediate Similarity NPC291070
0.7312 Intermediate Similarity NPC261181
0.7312 Intermediate Similarity NPC246757
0.7292 Intermediate Similarity NPC476042
0.7283 Intermediate Similarity NPC110704
0.7273 Intermediate Similarity NPC134120
0.7273 Intermediate Similarity NPC167336
0.7263 Intermediate Similarity NPC270654
0.7263 Intermediate Similarity NPC240042
0.7245 Intermediate Similarity NPC472691
0.7245 Intermediate Similarity NPC474866
0.7245 Intermediate Similarity NPC471829
0.7245 Intermediate Similarity NPC475939
0.7234 Intermediate Similarity NPC172925
0.7222 Intermediate Similarity NPC322387
0.7215 Intermediate Similarity NPC267443
0.7191 Intermediate Similarity NPC294134
0.7188 Intermediate Similarity NPC145052
0.7188 Intermediate Similarity NPC317280
0.7188 Intermediate Similarity NPC329387
0.7179 Intermediate Similarity NPC291066
0.7162 Intermediate Similarity NPC198841
0.7143 Intermediate Similarity NPC71009
0.7143 Intermediate Similarity NPC200745
0.7143 Intermediate Similarity NPC329064
0.7129 Intermediate Similarity NPC203732
0.7113 Intermediate Similarity NPC54647
0.7097 Intermediate Similarity NPC125226
0.7083 Intermediate Similarity NPC156021
0.7073 Intermediate Similarity NPC155429
0.7071 Intermediate Similarity NPC274443
0.7071 Intermediate Similarity NPC255676
0.7071 Intermediate Similarity NPC247976
0.7067 Intermediate Similarity NPC120441
0.7067 Intermediate Similarity NPC65873
0.7067 Intermediate Similarity NPC212114
0.7067 Intermediate Similarity NPC300345
0.7041 Intermediate Similarity NPC42211
0.7041 Intermediate Similarity NPC112552
0.7037 Intermediate Similarity NPC213570
0.7037 Intermediate Similarity NPC246822
0.7037 Intermediate Similarity NPC139416
0.7037 Intermediate Similarity NPC473206
0.703 Intermediate Similarity NPC472700
0.703 Intermediate Similarity NPC472699
0.7027 Intermediate Similarity NPC149436
0.7024 Intermediate Similarity NPC206800
0.7024 Intermediate Similarity NPC32203
0.7013 Intermediate Similarity NPC248705
0.7013 Intermediate Similarity NPC150196
0.7013 Intermediate Similarity NPC135924
0.7013 Intermediate Similarity NPC54368
0.7013 Intermediate Similarity NPC210849
0.7011 Intermediate Similarity NPC184030
0.7011 Intermediate Similarity NPC164449
0.7 Intermediate Similarity NPC329282
0.7 Intermediate Similarity NPC475710
0.7 Intermediate Similarity NPC269644
0.6989 Remote Similarity NPC84288
0.6989 Remote Similarity NPC70940
0.6989 Remote Similarity NPC274455
0.6989 Remote Similarity NPC86670
0.697 Remote Similarity NPC244427
0.697 Remote Similarity NPC25458
0.697 Remote Similarity NPC222390
0.6966 Remote Similarity NPC208183
0.6966 Remote Similarity NPC243289
0.6961 Remote Similarity NPC472701
0.6961 Remote Similarity NPC472683
0.6961 Remote Similarity NPC141523
0.6961 Remote Similarity NPC470007
0.6961 Remote Similarity NPC472695
0.6961 Remote Similarity NPC472696
0.6951 Remote Similarity NPC263385
0.6951 Remote Similarity NPC251490
0.6951 Remote Similarity NPC72670
0.6939 Remote Similarity NPC118343
0.6933 Remote Similarity NPC269586
0.6932 Remote Similarity NPC71795
0.6931 Remote Similarity NPC474910
0.6931 Remote Similarity NPC172483
0.6931 Remote Similarity NPC105899
0.6923 Remote Similarity NPC318107

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC95868 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 NPD1507 Clinical (unspecified phase)
0.9351 High Similarity NPD942 Approved
0.8182 Intermediate Similarity NPD1508 Approved
0.8023 Intermediate Similarity NPD650 Approved
0.7912 Intermediate Similarity NPD1843 Approved
0.7865 Intermediate Similarity NPD7609 Phase 3
0.7816 Intermediate Similarity NPD506 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD7631 Approved
0.7634 Intermediate Similarity NPD3495 Discontinued
0.7609 Intermediate Similarity NPD4094 Approved
0.759 Intermediate Similarity NPD227 Approved
0.759 Intermediate Similarity NPD225 Approved
0.75 Intermediate Similarity NPD675 Discontinued
0.75 Intermediate Similarity NPD1932 Approved
0.75 Intermediate Similarity NPD9490 Approved
0.75 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.7474 Intermediate Similarity NPD2066 Phase 3
0.7473 Intermediate Similarity NPD1239 Approved
0.7447 Intermediate Similarity NPD4657 Approved
0.7447 Intermediate Similarity NPD4655 Approved
0.7423 Intermediate Similarity NPD1930 Approved
0.7423 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7423 Intermediate Similarity NPD1929 Approved
0.7356 Intermediate Similarity NPD9491 Approved
0.7347 Intermediate Similarity NPD1237 Approved
0.7326 Intermediate Similarity NPD226 Approved
0.7312 Intermediate Similarity NPD1563 Approved
0.7312 Intermediate Similarity NPD1202 Approved
0.7234 Intermediate Similarity NPD688 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD1087 Approved
0.7172 Intermediate Similarity NPD2577 Clinical (unspecified phase)
0.7158 Intermediate Similarity NPD1989 Approved
0.7143 Intermediate Similarity NPD6027 Approved
0.7143 Intermediate Similarity NPD2193 Phase 2
0.7143 Intermediate Similarity NPD6024 Approved
0.7143 Intermediate Similarity NPD2648 Phase 3
0.7083 Intermediate Similarity NPD1100 Approved
0.7083 Intermediate Similarity NPD1564 Approved
0.7083 Intermediate Similarity NPD1565 Approved
0.7083 Intermediate Similarity NPD1099 Approved
0.7083 Intermediate Similarity NPD1566 Phase 3
0.7065 Intermediate Similarity NPD800 Approved
0.7059 Intermediate Similarity NPD2329 Discontinued
0.7053 Intermediate Similarity NPD1693 Approved
0.7033 Intermediate Similarity NPD4793 Discontinued
0.7024 Intermediate Similarity NPD9716 Approved
0.7 Intermediate Similarity NPD5909 Discontinued
0.6989 Remote Similarity NPD1089 Approved
0.6989 Remote Similarity NPD1090 Approved
0.6989 Remote Similarity NPD1086 Approved
0.697 Remote Similarity NPD2171 Approved
0.697 Remote Similarity NPD2196 Discontinued
0.6966 Remote Similarity NPD3971 Phase 1
0.6939 Remote Similarity NPD1238 Approved
0.6923 Remote Similarity NPD9257 Approved
0.6923 Remote Similarity NPD9259 Approved
0.69 Remote Similarity NPD3357 Discontinued
0.6882 Remote Similarity NPD5346 Phase 2
0.6882 Remote Similarity NPD5347 Phase 2
0.6842 Remote Similarity NPD1088 Approved
0.6809 Remote Similarity NPD3673 Approved
0.6809 Remote Similarity NPD3672 Approved
0.6804 Remote Similarity NPD5206 Clinical (unspecified phase)
0.6768 Remote Similarity NPD7798 Approved
0.6765 Remote Similarity NPD2192 Approved
0.6765 Remote Similarity NPD1677 Discontinued
0.6765 Remote Similarity NPD2197 Approved
0.6632 Remote Similarity NPD9256 Approved
0.6632 Remote Similarity NPD9258 Approved
0.663 Remote Similarity NPD5734 Clinical (unspecified phase)
0.6604 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6562 Remote Similarity NPD1007 Discontinued
0.6543 Remote Similarity NPD173 Clinical (unspecified phase)
0.6542 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6535 Remote Similarity NPD3135 Clinical (unspecified phase)
0.6531 Remote Similarity NPD6048 Clinical (unspecified phase)
0.6531 Remote Similarity NPD6049 Phase 2
0.6509 Remote Similarity NPD1317 Discontinued
0.6509 Remote Similarity NPD664 Approved
0.65 Remote Similarity NPD9495 Approved
0.65 Remote Similarity NPD466 Approved
0.65 Remote Similarity NPD5926 Approved
0.6489 Remote Similarity NPD1282 Approved
0.6481 Remote Similarity NPD6858 Approved
0.6481 Remote Similarity NPD7094 Approved
0.6471 Remote Similarity NPD813 Approved
0.6471 Remote Similarity NPD4803 Discontinued
0.6442 Remote Similarity NPD5048 Discontinued
0.6436 Remote Similarity NPD742 Approved
0.6429 Remote Similarity NPD9497 Clinical (unspecified phase)
0.6415 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6364 Remote Similarity NPD9260 Approved
0.6364 Remote Similarity NPD1246 Approved
0.6364 Remote Similarity NPD5951 Approved
0.6346 Remote Similarity NPD164 Approved
0.6339 Remote Similarity NPD7610 Discontinued
0.6337 Remote Similarity NPD253 Approved
0.6333 Remote Similarity NPD1475 Approved
0.6316 Remote Similarity NPD2345 Approved
0.6316 Remote Similarity NPD5836 Discontinued
0.6296 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6292 Remote Similarity NPD4144 Approved
0.6292 Remote Similarity NPD4147 Approved
0.6286 Remote Similarity NPD1767 Approved
0.6286 Remote Similarity NPD1763 Approved
0.6286 Remote Similarity NPD1761 Approved
0.6286 Remote Similarity NPD1765 Approved
0.6286 Remote Similarity NPD1766 Approved
0.6286 Remote Similarity NPD1018 Approved
0.6283 Remote Similarity NPD7009 Phase 2
0.6279 Remote Similarity NPD294 Approved
0.6279 Remote Similarity NPD292 Approved
0.6275 Remote Similarity NPD3097 Clinical (unspecified phase)
0.6273 Remote Similarity NPD1241 Discontinued
0.6264 Remote Similarity NPD3903 Approved
0.6264 Remote Similarity NPD3981 Approved
0.6264 Remote Similarity NPD3979 Approved
0.6264 Remote Similarity NPD3904 Approved
0.6264 Remote Similarity NPD1617 Discontinued
0.6261 Remote Similarity NPD4879 Approved
0.625 Remote Similarity NPD6647 Phase 2
0.6238 Remote Similarity NPD9566 Approved
0.6235 Remote Similarity NPD1673 Approved
0.6216 Remote Similarity NPD2319 Discontinued
0.6216 Remote Similarity NPD1023 Approved
0.6216 Remote Similarity NPD1021 Approved
0.6216 Remote Similarity NPD1020 Approved
0.6216 Remote Similarity NPD1022 Approved
0.6216 Remote Similarity NPD690 Clinical (unspecified phase)
0.6214 Remote Similarity NPD5630 Phase 1
0.6207 Remote Similarity NPD6287 Discontinued
0.6207 Remote Similarity NPD1201 Approved
0.6207 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6204 Remote Similarity NPD2067 Discontinued
0.6204 Remote Similarity NPD3646 Clinical (unspecified phase)
0.6196 Remote Similarity NPD4026 Approved
0.6196 Remote Similarity NPD4027 Approved
0.6196 Remote Similarity NPD3035 Approved
0.6186 Remote Similarity NPD1628 Approved
0.6186 Remote Similarity NPD1629 Approved
0.6154 Remote Similarity NPD3972 Approved
0.6154 Remote Similarity NPD6588 Clinical (unspecified phase)
0.6154 Remote Similarity NPD4878 Approved
0.6129 Remote Similarity NPD4170 Approved
0.6129 Remote Similarity NPD4169 Approved
0.6129 Remote Similarity NPD4701 Clinical (unspecified phase)
0.6126 Remote Similarity NPD1175 Approved
0.6126 Remote Similarity NPD7077 Approved
0.6126 Remote Similarity NPD7076 Approved
0.6121 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6111 Remote Similarity NPD2182 Approved
0.6106 Remote Similarity NPD4574 Approved
0.6106 Remote Similarity NPD4576 Approved
0.6102 Remote Similarity NPD5159 Phase 2
0.6102 Remote Similarity NPD5158 Clinical (unspecified phase)
0.6102 Remote Similarity NPD5157 Phase 1
0.6095 Remote Similarity NPD9261 Approved
0.6087 Remote Similarity NPD1245 Approved
0.6087 Remote Similarity NPD914 Suspended
0.6075 Remote Similarity NPD467 Phase 1
0.6071 Remote Similarity NPD1074 Approved
0.6071 Remote Similarity NPD1075 Approved
0.6071 Remote Similarity NPD1711 Phase 2
0.6071 Remote Similarity NPD2629 Approved
0.6071 Remote Similarity NPD2508 Discontinued
0.6071 Remote Similarity NPD1073 Approved
0.6071 Remote Similarity NPD3867 Phase 2
0.6064 Remote Similarity NPD1185 Approved
0.6064 Remote Similarity NPD2001 Discontinued
0.6064 Remote Similarity NPD4635 Approved
0.6055 Remote Similarity NPD3581 Discontinued
0.6055 Remote Similarity NPD1756 Approved
0.6055 Remote Similarity NPD1752 Approved
0.6053 Remote Similarity NPD2347 Approved
0.605 Remote Similarity NPD1876 Approved
0.605 Remote Similarity NPD1574 Approved
0.6044 Remote Similarity NPD79 Approved
0.6044 Remote Similarity NPD9564 Approved
0.6044 Remote Similarity NPD9563 Approved
0.6034 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6034 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6034 Remote Similarity NPD1727 Approved
0.6023 Remote Similarity NPD9728 Phase 1
0.602 Remote Similarity NPD689 Discontinued
0.6018 Remote Similarity NPD3317 Approved
0.6017 Remote Similarity NPD3355 Approved
0.6017 Remote Similarity NPD3356 Approved
0.6 Remote Similarity NPD1470 Approved
0.6 Remote Similarity NPD4544 Approved
0.6 Remote Similarity NPD3427 Approved
0.6 Remote Similarity NPD3643 Approved
0.6 Remote Similarity NPD5178 Approved
0.6 Remote Similarity NPD3642 Approved
0.6 Remote Similarity NPD1593 Approved
0.6 Remote Similarity NPD3644 Approved
0.6 Remote Similarity NPD3429 Approved
0.598 Remote Similarity NPD2860 Approved
0.598 Remote Similarity NPD2859 Approved
0.5965 Remote Similarity NPD405 Clinical (unspecified phase)
0.5955 Remote Similarity NPD9590 Approved

Structure

External Identifiers

PubChem CID   65057
ChEMBL   CHEMBL1373467
ZINC  

Physicochemical Properties

Molecular Weight:  206.07
ALogP:  -0.1872
MLogP:  3
XLogP:  6.584
# Rotatable Bonds:  2
Polar Surface Area:  17.07
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  16

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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