Natural Product: NPC311343

Natural Product ID:  NPC311343
Common Name:   Butenone
IUPAC Name:   (E)-4-phenylbut-3-en-2-one
Synonyms:  
Molecular Formula:   C10H10O
Standard InCHIKey:  BWHOZHOGCMHOBV-BQYQJAHWSA-N
Standard InCHI:  InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+
Canonical SMILES:  CC(=O)/C=C/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
NPO20881 Rheum officinale Species Polygonaceae Eukaryota HerDing*
NPO28877 Scutellaria baicalensis Species Lamiaceae Eukaryota HerDing*
NPO31378 Scutellaria balcalensis Species Lamiaceae Eukaryota TCM_Taiwan*
NPO1228 Radix rhei et rhizome Species Lymnaeidae Eukaryota TCMSP*
NPO5446 Campsis flos Species Bignoniaceae Eukaryota TCMSP*
NPO20881 Rheum officinale Species Polygonaceae Eukaryota TCMID*
NPO28877 Scutellaria baicalensis Species Lamiaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT19 Organism Escherichia coli Escherichia coli IC50 = 501187.23 nM 12161116
NPT440 Individual Protein Quinone oxidoreductase Mus musculus CD = 0.015 nM 9857096
NPT111 Cell Line K562 Homo sapiens IC50 = 17000 nM 10.1016/S0960-894X(97)10147-0
NPT91 Cell Line KB Homo sapiens IC50 = 5.3 ug/ml 17067159
NPT91 Cell Line KB Homo sapiens IC50 = 5.6 ug/ml 17067159
NPT81 Cell Line A549 Homo sapiens IC50 = 2.8 ug/ml 17067159
NPT116 Cell Line HL-60 Homo sapiens IC50 > 20000 nM 19155103
NPT165 Cell Line HeLa Homo sapiens IC50 > 20000 nM 19155103
NPT2 Others Unspecified IC50 > 20000 nM 19155103
NPT29 Organism Rattus norvegicus Rattus norvegicus LD50 = 1.985 mg/kg 19682771
NPT50 Individual Protein Tyrosyl-DNA phosphodiesterase 1 Homo sapiens Potency = 19952.6 nM PubChem BioAssay data set
NPT501 Individual Protein Alpha-galactosidase A Homo sapiens Potency = 7079.5 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 11577.4 nM PubChem BioAssay data set
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 100000 nM PubChem BioAssay data set
NPT249 Individual Protein Glucocorticoid receptor Homo sapiens Potency 223.9 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 37583.74 nM PubChem BioAssay data set
NPT367 Cell Line MDA-N Homo sapiens GI50 25644.84 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 42266.86 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 23988.33 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 41020.41 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 73282.45 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 35399.73 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 17021.59 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 29376.5 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 51050.5 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 26363.31 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 90991.33 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 30619.63 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 29512.09 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 34355.79 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 40086.67 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 40831.94 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 63826.35 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 20276.83 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 30130.06 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 73282.45 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 25176.77 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 14028.14 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 24266.1 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 39174.19 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 45708.82 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 36307.81 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 59703.53 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 94623.72 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 44258.84 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 53210.83 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 33884.42 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 35237.09 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 41783.04 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 60534.09 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 38815.04 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 53088.44 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 37583.74 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 52844.53 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 72777.98 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 50815.94 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 48640.72 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 23120.65 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 22233.1 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 15848.93 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 38106.58 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 67142.89 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 45185.59 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 28773.98 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 31695.67 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 43251.38 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 48640.72 nM PubChem BioAssay data set
NPT11 Individual Protein Guanine nucleotide-binding protein G(s), subunit alpha Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT849 Organism Plutella xylostella Plutella xylostella LC50 = 5735.6 ppm 22447611
NPT2779 Organism Spodoptera exigua Spodoptera exigua IC50 = 31350 nM 22447611
NPT3966 Individual Protein Phenol oxidase Plutella xylostella IC50 = 38310 nM 22447611
NPT2 Others Unspecified IC50 = 33310 nM 22447611
NPT1328 Organism Culex quinquefasciatus Culex quinquefasciatus LC50 = 479 umol/dm3 10.1007/s00044-010-9305-6
NPT2 Others Unspecified Potency 1.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2433.7 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 68589.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 27306 nM PubChem BioAssay data set
NPT162 Individual Protein Heat shock protein beta-1 Homo sapiens Potency 48966.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15355.3 nM PubChem BioAssay data set
NPT1 Others Radical scavenging activity IC50 = 302180000 nM 25278230
NPT80 Cell Line Raji Homo sapiens IC50 = 129 molar ratio 26796952

  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 NPC311343 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
0.9844 High Similarity NPC98880
0.9692 High Similarity NPC95289
0.8971 High Similarity NPC326200
0.8955 High Similarity NPC169222
0.8955 High Similarity NPC16190
0.8955 High Similarity NPC235059
0.875 High Similarity NPC2785
0.875 High Similarity NPC285470
0.875 High Similarity NPC36342
0.8696 High Similarity NPC74458
0.863 High Similarity NPC300205
0.8611 High Similarity NPC179726
0.8611 High Similarity NPC245966
0.8571 High Similarity NPC285679
0.8514 High Similarity NPC190567
0.8514 High Similarity NPC164086
0.8413 Intermediate Similarity NPC269586
0.84 Intermediate Similarity NPC145053
0.8378 Intermediate Similarity NPC139901
0.8378 Intermediate Similarity NPC151405
0.8356 Intermediate Similarity NPC329318
0.8356 Intermediate Similarity NPC287790
0.8356 Intermediate Similarity NPC3672
0.8333 Intermediate Similarity NPC32203
0.8333 Intermediate Similarity NPC206800
0.8281 Intermediate Similarity NPC120441
0.8281 Intermediate Similarity NPC65873
0.8281 Intermediate Similarity NPC212114
0.8281 Intermediate Similarity NPC300345
0.8267 Intermediate Similarity NPC71664
0.8267 Intermediate Similarity NPC285716
0.8267 Intermediate Similarity NPC17408
0.8254 Intermediate Similarity NPC277704
0.8254 Intermediate Similarity NPC149436
0.8243 Intermediate Similarity NPC76455
0.8243 Intermediate Similarity NPC50192
0.8243 Intermediate Similarity NPC137847
0.8158 Intermediate Similarity NPC12936
0.8158 Intermediate Similarity NPC273033
0.8158 Intermediate Similarity NPC89950
0.8154 Intermediate Similarity NPC8235
0.8133 Intermediate Similarity NPC78517
0.8133 Intermediate Similarity NPC167577
0.8125 Intermediate Similarity NPC198841
0.803 Intermediate Similarity NPC147062
0.803 Intermediate Similarity NPC169110
0.8026 Intermediate Similarity NPC95868
0.8 Intermediate Similarity NPC176228
0.8 Intermediate Similarity NPC103488
0.7949 Intermediate Similarity NPC273758
0.7922 Intermediate Similarity NPC73978
0.7922 Intermediate Similarity NPC100039
0.7922 Intermediate Similarity NPC303245
0.7922 Intermediate Similarity NPC71795
0.7917 Intermediate Similarity NPC155429
0.791 Intermediate Similarity NPC238023
0.791 Intermediate Similarity NPC248705
0.791 Intermediate Similarity NPC150196
0.791 Intermediate Similarity NPC54368
0.791 Intermediate Similarity NPC135924
0.791 Intermediate Similarity NPC210849
0.791 Intermediate Similarity NPC310758
0.7879 Intermediate Similarity NPC64270
0.7879 Intermediate Similarity NPC36357
0.7879 Intermediate Similarity NPC114327
0.7875 Intermediate Similarity NPC160339
0.7875 Intermediate Similarity NPC307
0.7867 Intermediate Similarity NPC9796
0.7821 Intermediate Similarity NPC99240
0.7808 Intermediate Similarity NPC271437
0.7794 Intermediate Similarity NPC29680
0.7778 Intermediate Similarity NPC69057
0.7778 Intermediate Similarity NPC43945
0.7746 Intermediate Similarity NPC78954
0.7746 Intermediate Similarity NPC239931
0.7746 Intermediate Similarity NPC82770
0.7733 Intermediate Similarity NPC175393
0.7733 Intermediate Similarity NPC78500
0.7722 Intermediate Similarity NPC324624
0.7722 Intermediate Similarity NPC197581
0.7722 Intermediate Similarity NPC39600
0.7722 Intermediate Similarity NPC215008
0.7722 Intermediate Similarity NPC308619
0.7722 Intermediate Similarity NPC127491
0.7722 Intermediate Similarity NPC324835
0.7703 Intermediate Similarity NPC208075
0.7683 Intermediate Similarity NPC157778
0.7681 Intermediate Similarity NPC88566
0.7662 Intermediate Similarity NPC272260
0.7647 Intermediate Similarity NPC246588
0.7632 Intermediate Similarity NPC298023
0.76 Intermediate Similarity NPC189371
0.7571 Intermediate Similarity NPC155172
0.7571 Intermediate Similarity NPC32312
0.7571 Intermediate Similarity NPC198023
0.7564 Intermediate Similarity NPC477703
0.7561 Intermediate Similarity NPC194326
0.7536 Intermediate Similarity NPC66517
0.7536 Intermediate Similarity NPC22786
0.7536 Intermediate Similarity NPC71009
0.7536 Intermediate Similarity NPC200745
0.7531 Intermediate Similarity NPC53299
0.7531 Intermediate Similarity NPC123476
0.7531 Intermediate Similarity NPC252067
0.75 Intermediate Similarity NPC303967
0.75 Intermediate Similarity NPC243289
0.75 Intermediate Similarity NPC110420
0.75 Intermediate Similarity NPC67585
0.75 Intermediate Similarity NPC149263
0.75 Intermediate Similarity NPC208183
0.75 Intermediate Similarity NPC173413
0.75 Intermediate Similarity NPC277277
0.747 Intermediate Similarity NPC267262
0.747 Intermediate Similarity NPC473345
0.7465 Intermediate Similarity NPC178527
0.7436 Intermediate Similarity NPC170484
0.7432 Intermediate Similarity NPC208302
0.7429 Intermediate Similarity NPC21211
0.7429 Intermediate Similarity NPC45756
0.7429 Intermediate Similarity NPC113670
0.7412 Intermediate Similarity NPC476484
0.7412 Intermediate Similarity NPC284475
0.7412 Intermediate Similarity NPC133461
0.7407 Intermediate Similarity NPC44546
0.7391 Intermediate Similarity NPC45255
0.7381 Intermediate Similarity NPC418308
0.7381 Intermediate Similarity NPC113307
0.7361 Intermediate Similarity NPC267443
0.7361 Intermediate Similarity NPC6107
0.7349 Intermediate Similarity NPC286608
0.7349 Intermediate Similarity NPC169050
0.7349 Intermediate Similarity NPC96625
0.7342 Intermediate Similarity NPC121800
0.7342 Intermediate Similarity NPC157055
0.7326 Intermediate Similarity NPC59677
0.7326 Intermediate Similarity NPC188844
0.7326 Intermediate Similarity NPC153885
0.7326 Intermediate Similarity NPC1682
0.7326 Intermediate Similarity NPC155232
0.7324 Intermediate Similarity NPC291066
0.7294 Intermediate Similarity NPC19256
0.7294 Intermediate Similarity NPC108026
0.7262 Intermediate Similarity NPC477693
0.7262 Intermediate Similarity NPC477704
0.7262 Intermediate Similarity NPC153308
0.7246 Intermediate Similarity NPC147578
0.7241 Intermediate Similarity NPC246757
0.7241 Intermediate Similarity NPC181709
0.7241 Intermediate Similarity NPC289883
0.7241 Intermediate Similarity NPC291070
0.7241 Intermediate Similarity NPC238219
0.7237 Intermediate Similarity NPC108218
0.7222 Intermediate Similarity NPC289915
0.7222 Intermediate Similarity NPC113837
0.7222 Intermediate Similarity NPC36440
0.7215 Intermediate Similarity NPC469894
0.7183 Intermediate Similarity NPC50266
0.7176 Intermediate Similarity NPC173443
0.7162 Intermediate Similarity NPC246822
0.7162 Intermediate Similarity NPC139416
0.7162 Intermediate Similarity NPC213570
0.716 Intermediate Similarity NPC230068
0.716 Intermediate Similarity NPC323103
0.716 Intermediate Similarity NPC103387
0.7159 Intermediate Similarity NPC473347
0.7159 Intermediate Similarity NPC260233
0.7143 Intermediate Similarity NPC53492
0.7143 Intermediate Similarity NPC17497
0.7143 Intermediate Similarity NPC200624
0.7143 Intermediate Similarity NPC305602
0.7126 Intermediate Similarity NPC77273
0.7126 Intermediate Similarity NPC323420
0.7125 Intermediate Similarity NPC328178
0.7125 Intermediate Similarity NPC127343
0.7108 Intermediate Similarity NPC95965
0.7108 Intermediate Similarity NPC475710
0.7093 Intermediate Similarity NPC58872
0.7093 Intermediate Similarity NPC26224
0.7089 Intermediate Similarity NPC224544
0.7079 Intermediate Similarity NPC185208
0.7079 Intermediate Similarity NPC12695
0.7079 Intermediate Similarity NPC219573
0.7073 Intermediate Similarity NPC288903
0.7073 Intermediate Similarity NPC270507
0.7037 Intermediate Similarity NPC242628
0.7037 Intermediate Similarity NPC133050
0.7024 Intermediate Similarity NPC164526
0.7011 Intermediate Similarity NPC475059
0.7011 Intermediate Similarity NPC110704
0.7011 Intermediate Similarity NPC475023
0.7011 Intermediate Similarity NPC472319
0.7 Intermediate Similarity NPC278228
0.7 Intermediate Similarity NPC240042
0.7 Intermediate Similarity NPC239185
0.6988 Remote Similarity NPC267704
0.6977 Remote Similarity NPC325709
0.6977 Remote Similarity NPC298115
0.6977 Remote Similarity NPC231591
0.6974 Remote Similarity NPC280135
0.6974 Remote Similarity NPC226999

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC311343 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
0.8333 Intermediate Similarity NPD9716 Approved
0.8158 Intermediate Similarity NPD942 Approved
0.8026 Intermediate Similarity NPD1507 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD650 Approved
0.7778 Intermediate Similarity NPD506 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD3971 Phase 1
0.7429 Intermediate Similarity NPD675 Discontinued
0.7412 Intermediate Similarity NPD1007 Discontinued
0.7412 Intermediate Similarity NPD7609 Phase 3
0.7349 Intermediate Similarity NPD1282 Approved
0.7326 Intermediate Similarity NPD7631 Approved
0.7324 Intermediate Similarity NPD173 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD5734 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD225 Approved
0.7308 Intermediate Similarity NPD227 Approved
0.7162 Intermediate Similarity NPD9497 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD1508 Approved
0.7045 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD226 Approved
0.7 Intermediate Similarity NPD1100 Approved
0.7 Intermediate Similarity NPD3495 Discontinued
0.7 Intermediate Similarity NPD1099 Approved
0.7 Intermediate Similarity NPD9490 Approved
0.6974 Remote Similarity NPD294 Approved
0.6974 Remote Similarity NPD292 Approved
0.6889 Remote Similarity NPD1843 Approved
0.6867 Remote Similarity NPD9491 Approved
0.6848 Remote Similarity NPD2066 Phase 3
0.6824 Remote Similarity NPD9257 Approved
0.6824 Remote Similarity NPD9259 Approved
0.6795 Remote Similarity NPD9592 Approved
0.6795 Remote Similarity NPD80 Approved
0.6795 Remote Similarity NPD9591 Approved
0.6795 Remote Similarity NPD9588 Approved
0.6795 Remote Similarity NPD9589 Approved
0.6795 Remote Similarity NPD9593 Approved
0.6795 Remote Similarity NPD9590 Approved
0.6795 Remote Similarity NPD9594 Approved
0.6782 Remote Similarity NPD689 Discontinued
0.675 Remote Similarity NPD9294 Approved
0.6744 Remote Similarity NPD1087 Approved
0.6711 Remote Similarity NPD1673 Approved
0.6702 Remote Similarity NPD2193 Phase 2
0.6702 Remote Similarity NPD2171 Approved
0.6702 Remote Similarity NPD2648 Phase 3
0.6702 Remote Similarity NPD2196 Discontinued
0.6667 Remote Similarity NPD1202 Approved
0.6667 Remote Similarity NPD9728 Phase 1
0.6632 Remote Similarity NPD1930 Approved
0.6632 Remote Similarity NPD6647 Phase 2
0.6632 Remote Similarity NPD1929 Approved
0.6632 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6593 Remote Similarity NPD6048 Clinical (unspecified phase)
0.6593 Remote Similarity NPD1693 Approved
0.6593 Remote Similarity NPD4094 Approved
0.6593 Remote Similarity NPD6049 Phase 2
0.6591 Remote Similarity NPD800 Approved
0.6591 Remote Similarity NPD5346 Phase 2
0.6591 Remote Similarity NPD5347 Phase 2
0.6582 Remote Similarity NPD505 Clinical (unspecified phase)
0.6552 Remote Similarity NPD4793 Discontinued
0.6543 Remote Similarity NPD603 Approved
0.6543 Remote Similarity NPD4147 Approved
0.6543 Remote Similarity NPD4144 Approved
0.6526 Remote Similarity NPD1932 Approved
0.6517 Remote Similarity NPD3673 Approved
0.6517 Remote Similarity NPD1089 Approved
0.6517 Remote Similarity NPD1090 Approved
0.6517 Remote Similarity NPD3672 Approved
0.6517 Remote Similarity NPD9258 Approved
0.6517 Remote Similarity NPD9256 Approved
0.6517 Remote Similarity NPD1086 Approved
0.6512 Remote Similarity NPD111 Approved
0.6495 Remote Similarity NPD2192 Approved
0.6495 Remote Similarity NPD2197 Approved
0.6495 Remote Similarity NPD1677 Discontinued
0.6463 Remote Similarity NPD295 Approved
0.6463 Remote Similarity NPD293 Approved
0.6463 Remote Similarity NPD296 Approved
0.6458 Remote Similarity NPD3357 Discontinued
0.6452 Remote Similarity NPD4655 Approved
0.6452 Remote Similarity NPD4657 Approved
0.6392 Remote Similarity NPD1237 Approved
0.6392 Remote Similarity NPD2577 Clinical (unspecified phase)
0.6386 Remote Similarity NPD1052 Approved
0.6386 Remote Similarity NPD1051 Approved
0.6386 Remote Similarity NPD1053 Approved
0.6386 Remote Similarity NPD508 Approved
0.6386 Remote Similarity NPD589 Approved
0.6386 Remote Similarity NPD507 Approved
0.6386 Remote Similarity NPD590 Approved
0.6383 Remote Similarity NPD5926 Approved
0.6374 Remote Similarity NPD1088 Approved
0.6364 Remote Similarity NPD3420 Clinical (unspecified phase)
0.6354 Remote Similarity NPD813 Approved
0.6316 Remote Similarity NPD1238 Approved
0.631 Remote Similarity NPD3979 Approved
0.631 Remote Similarity NPD3981 Approved
0.631 Remote Similarity NPD5371 Approved
0.631 Remote Similarity NPD260 Discontinued
0.631 Remote Similarity NPD3904 Approved
0.631 Remote Similarity NPD3903 Approved
0.631 Remote Similarity NPD5372 Approved
0.6304 Remote Similarity NPD1563 Approved
0.6304 Remote Similarity NPD1066 Discontinued
0.63 Remote Similarity NPD2329 Discontinued
0.6292 Remote Similarity NPD1101 Approved
0.6265 Remote Similarity NPD9397 Approved
0.6265 Remote Similarity NPD79 Approved
0.6265 Remote Similarity NPD9564 Approved
0.6265 Remote Similarity NPD9393 Approved
0.6265 Remote Similarity NPD9563 Approved
0.6264 Remote Similarity NPD1239 Approved
0.6263 Remote Similarity NPD3134 Approved
0.6238 Remote Similarity NPD1317 Discontinued
0.6237 Remote Similarity NPD9260 Approved
0.6235 Remote Similarity NPD4027 Approved
0.6235 Remote Similarity NPD4026 Approved
0.6235 Remote Similarity NPD472 Approved
0.6235 Remote Similarity NPD9250 Approved
0.6235 Remote Similarity NPD3035 Approved
0.6224 Remote Similarity NPD164 Approved
0.6224 Remote Similarity NPD5909 Discontinued
0.62 Remote Similarity NPD1358 Approved
0.619 Remote Similarity NPD1475 Approved
0.6186 Remote Similarity NPD6024 Approved
0.6186 Remote Similarity NPD6027 Approved
0.618 Remote Similarity NPD187 Approved
0.618 Remote Similarity NPD9538 Approved
0.6176 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6176 Remote Similarity NPD9072 Clinical (unspecified phase)
0.617 Remote Similarity NPD1989 Approved
0.6163 Remote Similarity NPD4170 Approved
0.6163 Remote Similarity NPD4169 Approved
0.6163 Remote Similarity NPD4701 Clinical (unspecified phase)
0.6162 Remote Similarity NPD1576 Approved
0.6129 Remote Similarity NPD845 Approved
0.6129 Remote Similarity NPD719 Approved
0.6129 Remote Similarity NPD720 Approved
0.6118 Remote Similarity NPD1617 Discontinued
0.6117 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6111 Remote Similarity NPD531 Approved
0.6105 Remote Similarity NPD1565 Approved
0.6105 Remote Similarity NPD1566 Phase 3
0.6105 Remote Similarity NPD1564 Approved
0.61 Remote Similarity NPD1065 Approved
0.61 Remote Similarity NPD1064 Approved
0.6092 Remote Similarity NPD2001 Discontinued
0.6092 Remote Similarity NPD4635 Approved
0.6092 Remote Similarity NPD830 Approved
0.6092 Remote Similarity NPD831 Approved
0.6092 Remote Similarity NPD1800 Clinical (unspecified phase)
0.6092 Remote Similarity NPD263 Approved
0.6092 Remote Similarity NPD262 Approved
0.6087 Remote Similarity NPD530 Approved
0.6078 Remote Similarity NPD664 Approved
0.6064 Remote Similarity NPD1432 Clinical (unspecified phase)
0.6064 Remote Similarity NPD688 Clinical (unspecified phase)
0.6064 Remote Similarity NPD2933 Approved
0.6064 Remote Similarity NPD1081 Clinical (unspecified phase)
0.6064 Remote Similarity NPD2934 Approved
0.6044 Remote Similarity NPD1629 Approved
0.6044 Remote Similarity NPD1628 Approved
0.6042 Remote Similarity NPD9495 Approved
0.6042 Remote Similarity NPD466 Approved
0.6023 Remote Similarity NPD5178 Approved
0.6023 Remote Similarity NPD785 Approved
0.6023 Remote Similarity NPD2539 Approved
0.6023 Remote Similarity NPD3427 Approved
0.6023 Remote Similarity NPD2538 Approved
0.6023 Remote Similarity NPD9395 Approved
0.6023 Remote Similarity NPD3429 Approved
0.6023 Remote Similarity NPD4544 Approved
0.6022 Remote Similarity NPD752 Approved
0.6022 Remote Similarity NPD1814 Approved
0.6022 Remote Similarity NPD6690 Approved
0.6022 Remote Similarity NPD1812 Approved
0.6019 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6 Remote Similarity NPD2860 Approved
0.6 Remote Similarity NPD7077 Approved
0.6 Remote Similarity NPD844 Approved
0.6 Remote Similarity NPD1241 Discontinued
0.6 Remote Similarity NPD7076 Approved
0.6 Remote Similarity NPD2859 Approved
0.6 Remote Similarity NPD9697 Approved
0.6 Remote Similarity NPD5206 Clinical (unspecified phase)
0.598 Remote Similarity NPD6831 Clinical (unspecified phase)
0.598 Remote Similarity NPD2182 Approved
0.5979 Remote Similarity NPD7798 Approved
0.5979 Remote Similarity NPD742 Approved
0.596 Remote Similarity NPD9261 Approved
0.5957 Remote Similarity NPD1080 Approved
0.5957 Remote Similarity NPD3719 Approved
0.5957 Remote Similarity NPD1409 Phase 3
0.5957 Remote Similarity NPD3718 Approved
0.5955 Remote Similarity NPD2205 Approved
0.5955 Remote Similarity NPD2208 Approved
0.5943 Remote Similarity NPD690 Clinical (unspecified phase)
0.5943 Remote Similarity NPD1073 Approved
0.5943 Remote Similarity NPD1074 Approved

Structure

External Identifiers

PubChem CID   637759
ChEMBL   CHEMBL73639
ZINC  

Physicochemical Properties

Molecular Weight:  146.07
ALogP:  0.1072
MLogP:  2.45
XLogP:  4.166
# Rotatable Bonds:  3
Polar Surface Area:  17.07
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  11

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Structure MOL file  
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Biological Activities  
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