Natural Product: NPC95289

Natural Product ID:  NPC95289
Common Name:   (E)-4-Methyl-1-Phenylpent-1-En-3-One
IUPAC Name:   (E)-4-methyl-1-phenylpent-1-en-3-one
Synonyms:  
Molecular Formula:   C12H14O
Standard InCHIKey:  CAXIQKXPSQYDIR-CMDGGOBGSA-N
Standard InCHI:  InChI=1S/C12H14O/c1-10(2)12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+
Canonical SMILES:  CC(C(=O)/C=C/c1ccccc1)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
NPO30949 Eugenia caryopyhllata Species Myrtaceae Eukaryota TCM_Taiwan*
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT368 Cell Line SN12C Homo sapiens GI50 79250.13 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 81470.43 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 63826.35 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 42266.86 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 67297.67 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 33728.73 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 31045.6 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 54325.03 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 61235.04 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT572 Cell Line DMS-273 Homo sapiens GI50 65162.84 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 31188.9 nM PubChem BioAssay data set
NPT573 Cell Line M19-MEL Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 72110.75 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 69662.65 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 31045.6 nM PubChem BioAssay data set
NPT574 Cell Line XF498 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 37068.07 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 83560.3 nM PubChem BioAssay data set
NPT575 Cell Line KM-20L2 Homo sapiens GI50 36140.99 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 67297.67 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT731 Cell Line LXFL 529 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT576 Cell Line DMS-114 Homo sapiens GI50 99083.19 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 50582.47 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 87297.14 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 91201.08 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 46451.53 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 94841.85 nM PubChem BioAssay data set
NPT578 Cell Line SNB-78 Homo sapiens GI50 33113.11 nM PubChem BioAssay data set
NPT579 Cell Line DLD-1 Homo sapiens GI50 84722.74 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 23878.11 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 53456.44 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT732 Cell Line HOP-18 Homo sapiens GI50 100000 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 NPC95289 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
0.9846 High Similarity NPC98880
0.9692 High Similarity NPC311343
0.8986 High Similarity NPC326200
0.8784 High Similarity NPC190567
0.8767 High Similarity NPC36342
0.8767 High Similarity NPC2785
0.8767 High Similarity NPC285470
0.8714 High Similarity NPC74458
0.8696 High Similarity NPC235059
0.8696 High Similarity NPC16190
0.8696 High Similarity NPC169222
0.8649 High Similarity NPC300205
0.863 High Similarity NPC245966
0.863 High Similarity NPC179726
0.8592 High Similarity NPC285679
0.8533 High Similarity NPC285716
0.8533 High Similarity NPC164086
0.8533 High Similarity NPC17408
0.8421 Intermediate Similarity NPC145053
0.84 Intermediate Similarity NPC139901
0.84 Intermediate Similarity NPC151405
0.8378 Intermediate Similarity NPC329318
0.8289 Intermediate Similarity NPC71664
0.8267 Intermediate Similarity NPC137847
0.8267 Intermediate Similarity NPC76455
0.8267 Intermediate Similarity NPC103488
0.8182 Intermediate Similarity NPC12936
0.8182 Intermediate Similarity NPC273033
0.8154 Intermediate Similarity NPC269586
0.8133 Intermediate Similarity NPC3672
0.8133 Intermediate Similarity NPC287790
0.8108 Intermediate Similarity NPC206800
0.8108 Intermediate Similarity NPC32203
0.8052 Intermediate Similarity NPC95868
0.803 Intermediate Similarity NPC300345
0.803 Intermediate Similarity NPC120441
0.803 Intermediate Similarity NPC212114
0.803 Intermediate Similarity NPC65873
0.8026 Intermediate Similarity NPC50192
0.8 Intermediate Similarity NPC277704
0.8 Intermediate Similarity NPC149436
0.7975 Intermediate Similarity NPC273758
0.7949 Intermediate Similarity NPC73978
0.7949 Intermediate Similarity NPC89950
0.7949 Intermediate Similarity NPC303245
0.7949 Intermediate Similarity NPC100039
0.7945 Intermediate Similarity NPC155429
0.7941 Intermediate Similarity NPC135924
0.7922 Intermediate Similarity NPC78517
0.7922 Intermediate Similarity NPC167577
0.791 Intermediate Similarity NPC8235
0.7901 Intermediate Similarity NPC160339
0.7901 Intermediate Similarity NPC307
0.7895 Intermediate Similarity NPC9796
0.7895 Intermediate Similarity NPC298023
0.7879 Intermediate Similarity NPC198841
0.7838 Intermediate Similarity NPC271437
0.7821 Intermediate Similarity NPC477703
0.7805 Intermediate Similarity NPC69057
0.7805 Intermediate Similarity NPC43945
0.7794 Intermediate Similarity NPC147062
0.7794 Intermediate Similarity NPC169110
0.7792 Intermediate Similarity NPC176228
0.7778 Intermediate Similarity NPC252067
0.7763 Intermediate Similarity NPC78500
0.775 Intermediate Similarity NPC215008
0.775 Intermediate Similarity NPC39600
0.775 Intermediate Similarity NPC197581
0.775 Intermediate Similarity NPC324624
0.7738 Intermediate Similarity NPC67585
0.7738 Intermediate Similarity NPC110420
0.7738 Intermediate Similarity NPC303967
0.7733 Intermediate Similarity NPC208075
0.7722 Intermediate Similarity NPC71795
0.7714 Intermediate Similarity NPC88566
0.7711 Intermediate Similarity NPC157778
0.7692 Intermediate Similarity NPC272260
0.7681 Intermediate Similarity NPC310758
0.7681 Intermediate Similarity NPC150196
0.7681 Intermediate Similarity NPC54368
0.7681 Intermediate Similarity NPC210849
0.7681 Intermediate Similarity NPC248705
0.7681 Intermediate Similarity NPC238023
0.7647 Intermediate Similarity NPC36357
0.7647 Intermediate Similarity NPC133461
0.7647 Intermediate Similarity NPC114327
0.7647 Intermediate Similarity NPC64270
0.7625 Intermediate Similarity NPC99240
0.7606 Intermediate Similarity NPC155172
0.7606 Intermediate Similarity NPC198023
0.7606 Intermediate Similarity NPC32312
0.7595 Intermediate Similarity NPC157055
0.759 Intermediate Similarity NPC194326
0.7571 Intermediate Similarity NPC29680
0.7561 Intermediate Similarity NPC123476
0.7561 Intermediate Similarity NPC53299
0.7558 Intermediate Similarity NPC153885
0.7558 Intermediate Similarity NPC1682
0.7558 Intermediate Similarity NPC188844
0.7534 Intermediate Similarity NPC239931
0.7534 Intermediate Similarity NPC78954
0.7534 Intermediate Similarity NPC82770
0.7532 Intermediate Similarity NPC175393
0.7531 Intermediate Similarity NPC324835
0.7531 Intermediate Similarity NPC149263
0.7531 Intermediate Similarity NPC308619
0.7531 Intermediate Similarity NPC127491
0.7529 Intermediate Similarity NPC173413
0.7529 Intermediate Similarity NPC277277
0.75 Intermediate Similarity NPC267262
0.75 Intermediate Similarity NPC473345
0.7471 Intermediate Similarity NPC238219
0.7465 Intermediate Similarity NPC45756
0.7442 Intermediate Similarity NPC476484
0.7442 Intermediate Similarity NPC284475
0.7439 Intermediate Similarity NPC44546
0.7429 Intermediate Similarity NPC246588
0.7412 Intermediate Similarity NPC113307
0.7412 Intermediate Similarity NPC418308
0.7407 Intermediate Similarity NPC103387
0.7407 Intermediate Similarity NPC230068
0.7403 Intermediate Similarity NPC189371
0.7386 Intermediate Similarity NPC260233
0.7375 Intermediate Similarity NPC121800
0.7356 Intermediate Similarity NPC155232
0.7356 Intermediate Similarity NPC323420
0.7356 Intermediate Similarity NPC59677
0.7326 Intermediate Similarity NPC108026
0.7326 Intermediate Similarity NPC19256
0.7324 Intermediate Similarity NPC22786
0.7324 Intermediate Similarity NPC200745
0.7324 Intermediate Similarity NPC71009
0.7324 Intermediate Similarity NPC66517
0.7317 Intermediate Similarity NPC270507
0.7317 Intermediate Similarity NPC243289
0.7317 Intermediate Similarity NPC208183
0.7303 Intermediate Similarity NPC219573
0.7303 Intermediate Similarity NPC185208
0.7294 Intermediate Similarity NPC153308
0.7294 Intermediate Similarity NPC477693
0.7294 Intermediate Similarity NPC477704
0.7273 Intermediate Similarity NPC289883
0.7273 Intermediate Similarity NPC246757
0.7273 Intermediate Similarity NPC291070
0.726 Intermediate Similarity NPC178527
0.725 Intermediate Similarity NPC469894
0.725 Intermediate Similarity NPC170484
0.7241 Intermediate Similarity NPC475059
0.7241 Intermediate Similarity NPC475023
0.7237 Intermediate Similarity NPC208302
0.7222 Intermediate Similarity NPC113670
0.7222 Intermediate Similarity NPC21211
0.7222 Intermediate Similarity NPC239185
0.7209 Intermediate Similarity NPC298115
0.7209 Intermediate Similarity NPC173443
0.7195 Intermediate Similarity NPC323103
0.7183 Intermediate Similarity NPC45255
0.7176 Intermediate Similarity NPC96625
0.7176 Intermediate Similarity NPC286608
0.7176 Intermediate Similarity NPC169050
0.7162 Intermediate Similarity NPC6107
0.7162 Intermediate Similarity NPC267443
0.716 Intermediate Similarity NPC127343
0.7159 Intermediate Similarity NPC77273
0.7159 Intermediate Similarity NPC475057
0.7143 Intermediate Similarity NPC134882
0.7143 Intermediate Similarity NPC179411
0.7143 Intermediate Similarity NPC95965
0.7143 Intermediate Similarity NPC75724
0.7143 Intermediate Similarity NPC49994
0.7143 Intermediate Similarity NPC145052
0.7126 Intermediate Similarity NPC26224
0.7126 Intermediate Similarity NPC58872
0.7125 Intermediate Similarity NPC224544
0.7123 Intermediate Similarity NPC291066
0.7111 Intermediate Similarity NPC12695
0.7108 Intermediate Similarity NPC288903
0.7079 Intermediate Similarity NPC181709
0.7059 Intermediate Similarity NPC164526
0.7051 Intermediate Similarity NPC108218
0.7045 Intermediate Similarity NPC110704
0.7042 Intermediate Similarity NPC147578
0.7033 Intermediate Similarity NPC265220
0.7033 Intermediate Similarity NPC472788
0.7033 Intermediate Similarity NPC278228
0.7033 Intermediate Similarity NPC240042
0.7027 Intermediate Similarity NPC113837
0.7027 Intermediate Similarity NPC36440
0.7027 Intermediate Similarity NPC289915
0.7024 Intermediate Similarity NPC267704
0.7011 Intermediate Similarity NPC325709
0.7011 Intermediate Similarity NPC231591
0.7 Intermediate Similarity NPC472880
0.7 Intermediate Similarity NPC473347
0.7 Intermediate Similarity NPC5472
0.6989 Remote Similarity NPC109514
0.6989 Remote Similarity NPC476993
0.6986 Remote Similarity NPC50266
0.6977 Remote Similarity NPC322387
0.6977 Remote Similarity NPC17497

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC95289 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
0.8182 Intermediate Similarity NPD942 Approved
0.8108 Intermediate Similarity NPD9716 Approved
0.8052 Intermediate Similarity NPD1507 Clinical (unspecified phase)
0.7805 Intermediate Similarity NPD650 Approved
0.7805 Intermediate Similarity NPD506 Clinical (unspecified phase)
0.7558 Intermediate Similarity NPD7631 Approved
0.7442 Intermediate Similarity NPD1007 Discontinued
0.7442 Intermediate Similarity NPD7609 Phase 3
0.7356 Intermediate Similarity NPD1508 Approved
0.7342 Intermediate Similarity NPD227 Approved
0.7342 Intermediate Similarity NPD225 Approved
0.7317 Intermediate Similarity NPD3971 Phase 1
0.7273 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD3495 Discontinued
0.7222 Intermediate Similarity NPD675 Discontinued
0.7176 Intermediate Similarity NPD1282 Approved
0.7143 Intermediate Similarity NPD5734 Clinical (unspecified phase)
0.7123 Intermediate Similarity NPD173 Clinical (unspecified phase)
0.7111 Intermediate Similarity NPD1843 Approved
0.7073 Intermediate Similarity NPD226 Approved
0.7065 Intermediate Similarity NPD2066 Phase 3
0.7037 Intermediate Similarity NPD9490 Approved
0.7033 Intermediate Similarity NPD1100 Approved
0.7033 Intermediate Similarity NPD1099 Approved
0.6977 Remote Similarity NPD1087 Approved
0.6974 Remote Similarity NPD9497 Clinical (unspecified phase)
0.6915 Remote Similarity NPD2171 Approved
0.6915 Remote Similarity NPD2193 Phase 2
0.6915 Remote Similarity NPD2648 Phase 3
0.6915 Remote Similarity NPD2196 Discontinued
0.6905 Remote Similarity NPD9491 Approved
0.686 Remote Similarity NPD9257 Approved
0.686 Remote Similarity NPD9259 Approved
0.6842 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6842 Remote Similarity NPD1929 Approved
0.6842 Remote Similarity NPD1930 Approved
0.6842 Remote Similarity NPD6647 Phase 2
0.6818 Remote Similarity NPD5346 Phase 2
0.6818 Remote Similarity NPD5347 Phase 2
0.6818 Remote Similarity NPD800 Approved
0.6813 Remote Similarity NPD1693 Approved
0.6795 Remote Similarity NPD294 Approved
0.6795 Remote Similarity NPD292 Approved
0.6753 Remote Similarity NPD1673 Approved
0.6742 Remote Similarity NPD1086 Approved
0.6742 Remote Similarity NPD1089 Approved
0.6742 Remote Similarity NPD1090 Approved
0.6742 Remote Similarity NPD3672 Approved
0.6742 Remote Similarity NPD3673 Approved
0.6703 Remote Similarity NPD1202 Approved
0.6701 Remote Similarity NPD1677 Discontinued
0.663 Remote Similarity NPD6048 Clinical (unspecified phase)
0.663 Remote Similarity NPD4094 Approved
0.663 Remote Similarity NPD6049 Phase 2
0.6629 Remote Similarity NPD689 Discontinued
0.6625 Remote Similarity NPD9592 Approved
0.6625 Remote Similarity NPD9591 Approved
0.6625 Remote Similarity NPD9594 Approved
0.6625 Remote Similarity NPD9593 Approved
0.6625 Remote Similarity NPD80 Approved
0.6625 Remote Similarity NPD9589 Approved
0.6625 Remote Similarity NPD9590 Approved
0.6625 Remote Similarity NPD9588 Approved
0.6598 Remote Similarity NPD2577 Clinical (unspecified phase)
0.6596 Remote Similarity NPD5926 Approved
0.6593 Remote Similarity NPD1088 Approved
0.6591 Remote Similarity NPD4793 Discontinued
0.6585 Remote Similarity NPD9294 Approved
0.6562 Remote Similarity NPD1932 Approved
0.6556 Remote Similarity NPD9256 Approved
0.6556 Remote Similarity NPD9258 Approved
0.6531 Remote Similarity NPD2192 Approved
0.6531 Remote Similarity NPD2197 Approved
0.6522 Remote Similarity NPD1563 Approved
0.65 Remote Similarity NPD9728 Phase 1
0.65 Remote Similarity NPD2329 Discontinued
0.6495 Remote Similarity NPD3357 Discontinued
0.6489 Remote Similarity NPD4657 Approved
0.6489 Remote Similarity NPD4655 Approved
0.6436 Remote Similarity NPD1317 Discontinued
0.6429 Remote Similarity NPD1237 Approved
0.6429 Remote Similarity NPD5909 Discontinued
0.642 Remote Similarity NPD505 Clinical (unspecified phase)
0.6392 Remote Similarity NPD813 Approved
0.6386 Remote Similarity NPD4144 Approved
0.6386 Remote Similarity NPD603 Approved
0.6386 Remote Similarity NPD4147 Approved
0.6373 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6364 Remote Similarity NPD111 Approved
0.6354 Remote Similarity NPD1238 Approved
0.6344 Remote Similarity NPD1066 Discontinued
0.6333 Remote Similarity NPD1101 Approved
0.6316 Remote Similarity NPD1565 Approved
0.6316 Remote Similarity NPD1564 Approved
0.6316 Remote Similarity NPD1566 Phase 3
0.631 Remote Similarity NPD296 Approved
0.631 Remote Similarity NPD9563 Approved
0.631 Remote Similarity NPD295 Approved
0.631 Remote Similarity NPD79 Approved
0.631 Remote Similarity NPD293 Approved
0.631 Remote Similarity NPD9564 Approved
0.6304 Remote Similarity NPD1239 Approved
0.63 Remote Similarity NPD3134 Approved
0.6279 Remote Similarity NPD3035 Approved
0.6277 Remote Similarity NPD9260 Approved
0.6263 Remote Similarity NPD164 Approved
0.625 Remote Similarity NPD466 Approved
0.6238 Remote Similarity NPD3420 Clinical (unspecified phase)
0.6235 Remote Similarity NPD508 Approved
0.6235 Remote Similarity NPD589 Approved
0.6235 Remote Similarity NPD1053 Approved
0.6235 Remote Similarity NPD1475 Approved
0.6235 Remote Similarity NPD590 Approved
0.6235 Remote Similarity NPD1051 Approved
0.6235 Remote Similarity NPD507 Approved
0.6235 Remote Similarity NPD1052 Approved
0.6224 Remote Similarity NPD6024 Approved
0.6224 Remote Similarity NPD6027 Approved
0.6211 Remote Similarity NPD1989 Approved
0.6207 Remote Similarity NPD4170 Approved
0.6207 Remote Similarity NPD4169 Approved
0.6207 Remote Similarity NPD4701 Clinical (unspecified phase)
0.619 Remote Similarity NPD7076 Approved
0.619 Remote Similarity NPD7077 Approved
0.617 Remote Similarity NPD845 Approved
0.6163 Remote Similarity NPD260 Discontinued
0.6163 Remote Similarity NPD1617 Discontinued
0.6163 Remote Similarity NPD3904 Approved
0.6163 Remote Similarity NPD3903 Approved
0.6163 Remote Similarity NPD3981 Approved
0.6163 Remote Similarity NPD3979 Approved
0.6163 Remote Similarity NPD5372 Approved
0.6163 Remote Similarity NPD5371 Approved
0.6154 Remote Similarity NPD531 Approved
0.6154 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6136 Remote Similarity NPD2001 Discontinued
0.6136 Remote Similarity NPD4635 Approved
0.6132 Remote Similarity NPD1246 Approved
0.6129 Remote Similarity NPD530 Approved
0.6122 Remote Similarity NPD3135 Clinical (unspecified phase)
0.6118 Remote Similarity NPD9393 Approved
0.6118 Remote Similarity NPD9397 Approved
0.6117 Remote Similarity NPD664 Approved
0.6105 Remote Similarity NPD688 Clinical (unspecified phase)
0.6095 Remote Similarity NPD6858 Approved
0.6095 Remote Similarity NPD7094 Approved
0.6092 Remote Similarity NPD4027 Approved
0.6092 Remote Similarity NPD472 Approved
0.6092 Remote Similarity NPD9250 Approved
0.6092 Remote Similarity NPD4026 Approved
0.6082 Remote Similarity NPD9495 Approved
0.6082 Remote Similarity NPD253 Approved
0.6078 Remote Similarity NPD1358 Approved
0.6058 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6044 Remote Similarity NPD187 Approved
0.6044 Remote Similarity NPD9538 Approved
0.6042 Remote Similarity NPD5206 Clinical (unspecified phase)
0.604 Remote Similarity NPD1576 Approved
0.6038 Remote Similarity NPD1241 Discontinued
0.602 Remote Similarity NPD7798 Approved
0.602 Remote Similarity NPD1067 Discontinued
0.602 Remote Similarity NPD787 Suspended
0.602 Remote Similarity NPD742 Approved
0.6019 Remote Similarity NPD2182 Approved
0.6019 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6 Remote Similarity NPD2208 Approved
0.6 Remote Similarity NPD1409 Phase 3
0.6 Remote Similarity NPD9261 Approved
0.6 Remote Similarity NPD9072 Clinical (unspecified phase)
0.6 Remote Similarity NPD720 Approved
0.6 Remote Similarity NPD719 Approved
0.6 Remote Similarity NPD5765 Approved
0.6 Remote Similarity NPD5738 Clinical (unspecified phase)
0.6 Remote Similarity NPD2205 Approved
0.5981 Remote Similarity NPD1075 Approved
0.5981 Remote Similarity NPD1073 Approved
0.5981 Remote Similarity NPD1074 Approved
0.5981 Remote Similarity NPD690 Clinical (unspecified phase)
0.598 Remote Similarity NPD1064 Approved
0.598 Remote Similarity NPD1065 Approved
0.598 Remote Similarity NPD6685 Approved
0.5979 Remote Similarity NPD288 Approved
0.5979 Remote Similarity NPD9566 Approved
0.5963 Remote Similarity NPD7610 Discontinued
0.5962 Remote Similarity NPD2067 Discontinued
0.596 Remote Similarity NPD5630 Phase 1
0.5955 Remote Similarity NPD262 Approved
0.5955 Remote Similarity NPD1185 Approved
0.5955 Remote Similarity NPD263 Approved
0.5955 Remote Similarity NPD1800 Clinical (unspecified phase)
0.5955 Remote Similarity NPD831 Approved
0.5955 Remote Similarity NPD830 Approved
0.5955 Remote Similarity NPD5288 Clinical (unspecified phase)
0.5938 Remote Similarity NPD1432 Clinical (unspecified phase)
0.5938 Remote Similarity NPD2934 Approved
0.5938 Remote Similarity NPD1081 Clinical (unspecified phase)
0.5938 Remote Similarity NPD4814 Discontinued
0.5938 Remote Similarity NPD2933 Approved
0.5918 Remote Similarity NPD4813 Approved
0.5918 Remote Similarity NPD4263 Approved

Structure

External Identifiers

PubChem CID   5354448
ChEMBL   CHEMBL1965580
ZINC  

Physicochemical Properties

Molecular Weight:  174.10
ALogP:  0.8316
MLogP:  2.67
XLogP:  4.712
# Rotatable Bonds:  5
Polar Surface Area:  17.07
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  13

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Biological Activities  
Similar NPs/Drugs