Natural Product: NPC3672

Natural Product ID:  NPC3672
Common Name:   E-Methyl Cinnamate
IUPAC Name:   methyl (E)-3-phenylprop-2-enoate
Synonyms:   (E)-Methyl Cinnamate; Methyl Cinnamate
Molecular Formula:   C10H10O2
Standard InCHIKey:  CCRCUPLGCSFEDV-BQYQJAHWSA-N
Standard InCHI:  InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+
Canonical SMILES:  COC(=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
NPO5033 Alpinia galanga Species Zingiberaceae Eukaryota TCM_Taiwan*
NPO7173 Armillaria matsutake Species Physalacriaceae Eukaryota TCM_Taiwan*
NPO11638 Cinnanmomi cortex NA NA NA TCMSP*
NPO10766 Alpiniae officinarum rhizome NA NA NA TCMSP*
NPO14715 Trollius chinensis Species Ranunculaceae Eukaryota TCMSP*
NPO29707 Benzoinum NA NA NA TCMSP*
NPO20060 Styrax Species Styracaceae Eukaryota TCMSP*
NPO29560 Carthami flos NA NA NA TCMSP*
NPO11262 Alpinia katsumadai hayat Species Staphylinidae Eukaryota TCMSP*
NPO18105 Fructus ligustri lucidi NA NA NA TCMSP*
NPO5315 Zanthoxylum bungeanum Species Rutaceae Eukaryota TM-MC*
NPO9290 Zanthoxylum piperitum Species Rutaceae Eukaryota TM-MC*
NPO8698 Zanthoxylum schinifolium Species Rutaceae Eukaryota TM-MC*
NPO14304 Physalis alkekengi Species Solanaceae Eukaryota TCMID*
NPO10494 Alpinia katsumadai Species Staphylinidae Eukaryota TCMID*
NPO26657 Conocephalum conicum Species Conocephalaceae Eukaryota TCMID*
NPO11291 Styrax benzoin Species Styracaceae Eukaryota TCMID*
NPO18157 Dictyonella incisa Species Dictyonellidae Eukaryota UNPD*
NPO17170 Aniba elliptica Species Lauraceae Eukaryota UNPD*
NPO10685 Salix daphnoides Species Salicaceae Eukaryota UNPD*
NPO13531 Nassauvia magellanica Species Asteraceae Eukaryota UNPD*
NPO16424 Myristica cinnamomea Species Myristicaceae Eukaryota UNPD*
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota TCM_Taiwan*
NPO23911 Alpinia officinarum Species Zingiberaceae Eukaryota TCM_Taiwan*
NPO30081 Alpinia speciosa Species Staphylinidae Eukaryota TCM_Taiwan*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT440 Individual Protein Quinone oxidoreductase Mus musculus CD = 0.082 nM 9857096
NPT722 Organism Athelia rolfsii Athelia rolfsii GI = 53 % 8704323
NPT723 Organism Pythium Pythium GI = 66 % 8704323
NPT724 Organism Corticium Corticium GI = 100 % 10.1584/jpestics.19.4_299
NPT724 Organism Corticium Corticium GI = 54 % 10.1584/jpestics.19.4_299
NPT723 Organism Pythium Pythium GI = 100 % 10.1584/jpestics.19.4_299
NPT723 Organism Pythium Pythium GI = 66 % 10.1584/jpestics.19.4_299
NPT2 Others Unspecified Activity > 1 nM 23421743
NPT2 Others Unspecified Potency 61130.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54482.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 173.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24336.5 nM PubChem BioAssay data set
NPT725 Individual Protein 2-heptyl-4(1H)-quinolone synthase PqsD Pseudomonas aeruginosa Inhibition < 10 % 25437621
NPT2 Others Unspecified Potency 68589.6 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 NPC3672 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 NPC287790
0.9726 High Similarity NPC78517
0.9726 High Similarity NPC167577
0.9589 High Similarity NPC176228
0.9467 High Similarity NPC89950
0.9467 High Similarity NPC303245
0.9315 High Similarity NPC175393
0.9091 High Similarity NPC99240
0.8974 High Similarity NPC324835
0.8974 High Similarity NPC208183
0.8974 High Similarity NPC243289
0.8974 High Similarity NPC127491
0.8974 High Similarity NPC308619
0.8961 High Similarity NPC71795
0.8919 High Similarity NPC32203
0.8919 High Similarity NPC206800
0.8816 High Similarity NPC50192
0.875 High Similarity NPC53299
0.8554 High Similarity NPC173443
0.8537 High Similarity NPC96625
0.8537 High Similarity NPC169050
0.8537 High Similarity NPC286608
0.8356 Intermediate Similarity NPC311343
0.8293 Intermediate Similarity NPC58616
0.8267 Intermediate Similarity NPC326200
0.8243 Intermediate Similarity NPC98880
0.8243 Intermediate Similarity NPC235059
0.8243 Intermediate Similarity NPC169222
0.8243 Intermediate Similarity NPC16190
0.8235 Intermediate Similarity NPC240108
0.8235 Intermediate Similarity NPC213156
0.814 Intermediate Similarity NPC472319
0.814 Intermediate Similarity NPC119631
0.8133 Intermediate Similarity NPC95289
0.8095 Intermediate Similarity NPC89377
0.8068 Intermediate Similarity NPC130398
0.8046 Intermediate Similarity NPC77273
0.8026 Intermediate Similarity NPC155429
0.8023 Intermediate Similarity NPC185501
0.8 Intermediate Similarity NPC170484
0.8 Intermediate Similarity NPC304760
0.7955 Intermediate Similarity NPC23453
0.7952 Intermediate Similarity NPC44546
0.7907 Intermediate Similarity NPC220893
0.7901 Intermediate Similarity NPC121800
0.7889 Intermediate Similarity NPC249912
0.7889 Intermediate Similarity NPC276775
0.7889 Intermediate Similarity NPC92754
0.7802 Intermediate Similarity NPC225060
0.7802 Intermediate Similarity NPC35448
0.7802 Intermediate Similarity NPC78701
0.7778 Intermediate Similarity NPC30361
0.775 Intermediate Similarity NPC329318
0.7717 Intermediate Similarity NPC203925
0.7717 Intermediate Similarity NPC146351
0.7711 Intermediate Similarity NPC323103
0.7711 Intermediate Similarity NPC103387
0.7654 Intermediate Similarity NPC137847
0.7654 Intermediate Similarity NPC76455
0.7634 Intermediate Similarity NPC253746
0.7634 Intermediate Similarity NPC70624
0.7632 Intermediate Similarity NPC78954
0.7632 Intermediate Similarity NPC239931
0.7632 Intermediate Similarity NPC82770
0.7619 Intermediate Similarity NPC288903
0.7619 Intermediate Similarity NPC270507
0.7614 Intermediate Similarity NPC26224
0.7609 Intermediate Similarity NPC154517
0.7609 Intermediate Similarity NPC135951
0.7561 Intermediate Similarity NPC300205
0.7553 Intermediate Similarity NPC94343
0.7553 Intermediate Similarity NPC188895
0.7531 Intermediate Similarity NPC179726
0.7528 Intermediate Similarity NPC475059
0.7528 Intermediate Similarity NPC475023
0.7527 Intermediate Similarity NPC118343
0.7527 Intermediate Similarity NPC325497
0.7527 Intermediate Similarity NPC98911
0.7527 Intermediate Similarity NPC80115
0.7527 Intermediate Similarity NPC472318
0.75 Intermediate Similarity NPC106313
0.75 Intermediate Similarity NPC270654
0.7474 Intermediate Similarity NPC179686
0.7474 Intermediate Similarity NPC474365
0.7474 Intermediate Similarity NPC304638
0.7474 Intermediate Similarity NPC301943
0.7474 Intermediate Similarity NPC234305
0.747 Intermediate Similarity NPC164086
0.7465 Intermediate Similarity NPC269586
0.7447 Intermediate Similarity NPC42211
0.7444 Intermediate Similarity NPC475057
0.7442 Intermediate Similarity NPC475710
0.7442 Intermediate Similarity NPC294134
0.7439 Intermediate Similarity NPC285470
0.7439 Intermediate Similarity NPC36342
0.7439 Intermediate Similarity NPC2785
0.7419 Intermediate Similarity NPC179411
0.7396 Intermediate Similarity NPC31786
0.7396 Intermediate Similarity NPC85977
0.7396 Intermediate Similarity NPC2518
0.7381 Intermediate Similarity NPC100039
0.7361 Intermediate Similarity NPC212114
0.7361 Intermediate Similarity NPC300345
0.7361 Intermediate Similarity NPC120441
0.7361 Intermediate Similarity NPC65873
0.7356 Intermediate Similarity NPC318107
0.7342 Intermediate Similarity NPC74458
0.7324 Intermediate Similarity NPC277704
0.7324 Intermediate Similarity NPC149436
0.732 Intermediate Similarity NPC227255
0.732 Intermediate Similarity NPC128730
0.732 Intermediate Similarity NPC288760
0.7317 Intermediate Similarity NPC245966
0.7312 Intermediate Similarity NPC325499
0.7292 Intermediate Similarity NPC82426
0.7292 Intermediate Similarity NPC91820
0.7283 Intermediate Similarity NPC5472
0.7262 Intermediate Similarity NPC127343
0.7262 Intermediate Similarity NPC190567
0.726 Intermediate Similarity NPC8235
0.725 Intermediate Similarity NPC271437
0.725 Intermediate Similarity NPC285679
0.7245 Intermediate Similarity NPC176971
0.7245 Intermediate Similarity NPC472316
0.7245 Intermediate Similarity NPC119271
0.7245 Intermediate Similarity NPC136962
0.7245 Intermediate Similarity NPC472315
0.7245 Intermediate Similarity NPC326447
0.7245 Intermediate Similarity NPC474376
0.7245 Intermediate Similarity NPC475203
0.7234 Intermediate Similarity NPC175298
0.7222 Intermediate Similarity NPC198841
0.7216 Intermediate Similarity NPC242913
0.7216 Intermediate Similarity NPC280616
0.7216 Intermediate Similarity NPC109637
0.7216 Intermediate Similarity NPC171831
0.7209 Intermediate Similarity NPC197581
0.7209 Intermediate Similarity NPC39600
0.7195 Intermediate Similarity NPC78500
0.7176 Intermediate Similarity NPC165212
0.7176 Intermediate Similarity NPC145053
0.7176 Intermediate Similarity NPC73978
0.7174 Intermediate Similarity NPC261181
0.7172 Intermediate Similarity NPC151530
0.7172 Intermediate Similarity NPC157473
0.7172 Intermediate Similarity NPC56493
0.7162 Intermediate Similarity NPC147062
0.7162 Intermediate Similarity NPC169110
0.716 Intermediate Similarity NPC208075
0.7158 Intermediate Similarity NPC171843
0.7143 Intermediate Similarity NPC269457
0.7143 Intermediate Similarity NPC209632
0.7143 Intermediate Similarity NPC472919
0.7143 Intermediate Similarity NPC127676
0.7143 Intermediate Similarity NPC469894
0.7143 Intermediate Similarity NPC139901
0.7143 Intermediate Similarity NPC151405
0.7128 Intermediate Similarity NPC133135
0.7128 Intermediate Similarity NPC251579
0.7128 Intermediate Similarity NPC253423
0.7126 Intermediate Similarity NPC267704
0.7113 Intermediate Similarity NPC89886
0.7113 Intermediate Similarity NPC60679
0.7108 Intermediate Similarity NPC298023
0.71 Intermediate Similarity NPC83628
0.71 Intermediate Similarity NPC17417
0.71 Intermediate Similarity NPC114741
0.71 Intermediate Similarity NPC85493
0.71 Intermediate Similarity NPC474364
0.71 Intermediate Similarity NPC182549
0.71 Intermediate Similarity NPC10251
0.71 Intermediate Similarity NPC265407
0.71 Intermediate Similarity NPC469636
0.7097 Intermediate Similarity NPC81010
0.7097 Intermediate Similarity NPC32977
0.7097 Intermediate Similarity NPC473347
0.7083 Intermediate Similarity NPC13755
0.7079 Intermediate Similarity NPC194326
0.7071 Intermediate Similarity NPC51174
0.7071 Intermediate Similarity NPC37115
0.7071 Intermediate Similarity NPC30594
0.7071 Intermediate Similarity NPC37622
0.7071 Intermediate Similarity NPC477251
0.7067 Intermediate Similarity NPC150196
0.7067 Intermediate Similarity NPC310758
0.7067 Intermediate Similarity NPC248705
0.7067 Intermediate Similarity NPC54368
0.7067 Intermediate Similarity NPC238023
0.7067 Intermediate Similarity NPC135924
0.7067 Intermediate Similarity NPC210849
0.7059 Intermediate Similarity NPC285716
0.7059 Intermediate Similarity NPC71664
0.7059 Intermediate Similarity NPC17408
0.7053 Intermediate Similarity NPC229242
0.7045 Intermediate Similarity NPC123476
0.7045 Intermediate Similarity NPC252067
0.7041 Intermediate Similarity NPC114594
0.7033 Intermediate Similarity NPC67585
0.7033 Intermediate Similarity NPC110420
0.7033 Intermediate Similarity NPC303967

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC3672 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
0.8919 High Similarity NPD9716 Approved
0.8537 High Similarity NPD1282 Approved
0.8118 Intermediate Similarity NPD689 Discontinued
0.8049 Intermediate Similarity NPD3971 Phase 1
0.7857 Intermediate Similarity NPD5734 Clinical (unspecified phase)
0.7609 Intermediate Similarity NPD5926 Approved
0.7527 Intermediate Similarity NPD1238 Approved
0.7439 Intermediate Similarity NPD225 Approved
0.7439 Intermediate Similarity NPD227 Approved
0.7396 Intermediate Similarity NPD164 Approved
0.7356 Intermediate Similarity NPD9257 Approved
0.7356 Intermediate Similarity NPD9259 Approved
0.7245 Intermediate Similarity NPD3134 Approved
0.7176 Intermediate Similarity NPD226 Approved
0.7174 Intermediate Similarity NPD1202 Approved
0.7172 Intermediate Similarity NPD1358 Approved
0.7143 Intermediate Similarity NPD9490 Approved
0.7113 Intermediate Similarity NPD6647 Phase 2
0.71 Intermediate Similarity NPD2182 Approved
0.7097 Intermediate Similarity NPD6048 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD6049 Phase 2
0.7041 Intermediate Similarity NPD5909 Discontinued
0.7033 Intermediate Similarity NPD3672 Approved
0.7033 Intermediate Similarity NPD9258 Approved
0.7033 Intermediate Similarity NPD3673 Approved
0.7033 Intermediate Similarity NPD9256 Approved
0.7011 Intermediate Similarity NPD9491 Approved
0.6977 Remote Similarity NPD942 Approved
0.6961 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6889 Remote Similarity NPD650 Approved
0.6889 Remote Similarity NPD1087 Approved
0.6863 Remote Similarity NPD2067 Discontinued
0.686 Remote Similarity NPD1507 Clinical (unspecified phase)
0.6809 Remote Similarity NPD5122 Clinical (unspecified phase)
0.68 Remote Similarity NPD9697 Approved
0.6739 Remote Similarity NPD5346 Phase 2
0.6739 Remote Similarity NPD800 Approved
0.6739 Remote Similarity NPD5347 Phase 2
0.6737 Remote Similarity NPD9260 Approved
0.6706 Remote Similarity NPD9294 Approved
0.6703 Remote Similarity NPD506 Clinical (unspecified phase)
0.6703 Remote Similarity NPD4793 Discontinued
0.6667 Remote Similarity NPD675 Discontinued
0.6667 Remote Similarity NPD1090 Approved
0.6667 Remote Similarity NPD1086 Approved
0.6667 Remote Similarity NPD1989 Approved
0.6667 Remote Similarity NPD9497 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1089 Approved
0.6633 Remote Similarity NPD2066 Phase 3
0.6632 Remote Similarity NPD1066 Discontinued
0.6596 Remote Similarity NPD1007 Discontinued
0.6596 Remote Similarity NPD7609 Phase 3
0.6582 Remote Similarity NPD173 Clinical (unspecified phase)
0.6574 Remote Similarity NPD9493 Approved
0.6571 Remote Similarity NPD969 Suspended
0.6542 Remote Similarity NPD690 Clinical (unspecified phase)
0.6531 Remote Similarity NPD9495 Approved
0.6526 Remote Similarity NPD1088 Approved
0.6526 Remote Similarity NPD7631 Approved
0.6471 Remote Similarity NPD5048 Discontinued
0.6458 Remote Similarity NPD1563 Approved
0.6455 Remote Similarity NPD9545 Approved
0.6442 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6436 Remote Similarity NPD1929 Approved
0.6436 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6436 Remote Similarity NPD1930 Approved
0.6422 Remote Similarity NPD694 Clinical (unspecified phase)
0.6421 Remote Similarity NPD1239 Approved
0.6404 Remote Similarity NPD9250 Approved
0.6392 Remote Similarity NPD1693 Approved
0.6381 Remote Similarity NPD5236 Approved
0.6381 Remote Similarity NPD5237 Approved
0.6381 Remote Similarity NPD5235 Approved
0.6381 Remote Similarity NPD5239 Approved
0.6381 Remote Similarity NPD5240 Approved
0.6364 Remote Similarity NPD2347 Approved
0.6354 Remote Similarity NPD1508 Approved
0.6337 Remote Similarity NPD1932 Approved
0.6321 Remote Similarity NPD2201 Approved
0.6311 Remote Similarity NPD1576 Approved
0.631 Remote Similarity NPD294 Approved
0.631 Remote Similarity NPD292 Approved
0.63 Remote Similarity NPD9712 Approved
0.63 Remote Similarity NPD7798 Approved
0.6296 Remote Similarity NPD1241 Discontinued
0.6296 Remote Similarity NPD6010 Discontinued
0.6277 Remote Similarity NPD531 Approved
0.6275 Remote Similarity NPD5738 Clinical (unspecified phase)
0.6275 Remote Similarity NPD9261 Approved
0.6263 Remote Similarity NPD1565 Approved
0.6263 Remote Similarity NPD1566 Phase 3
0.6263 Remote Similarity NPD3495 Discontinued
0.6263 Remote Similarity NPD1564 Approved
0.6262 Remote Similarity NPD1609 Clinical (unspecified phase)
0.625 Remote Similarity NPD5691 Approved
0.6228 Remote Similarity NPD518 Clinical (unspecified phase)
0.6228 Remote Similarity NPD6287 Discontinued
0.6224 Remote Similarity NPD688 Clinical (unspecified phase)
0.6214 Remote Similarity NPD1237 Approved
0.6204 Remote Similarity NPD5277 Phase 2
0.6204 Remote Similarity NPD5535 Approved
0.62 Remote Similarity NPD9711 Approved
0.62 Remote Similarity NPD9710 Approved
0.6195 Remote Similarity NPD4626 Approved
0.6182 Remote Similarity NPD4198 Discontinued
0.6174 Remote Similarity NPD6637 Approved
0.6163 Remote Similarity NPD9593 Approved
0.6163 Remote Similarity NPD9594 Approved
0.6163 Remote Similarity NPD9588 Approved
0.6163 Remote Similarity NPD80 Approved
0.6163 Remote Similarity NPD9589 Approved
0.6163 Remote Similarity NPD9591 Approved
0.6163 Remote Similarity NPD9592 Approved
0.6163 Remote Similarity NPD9590 Approved
0.6162 Remote Similarity NPD1843 Approved
0.6162 Remote Similarity NPD5206 Clinical (unspecified phase)
0.614 Remote Similarity NPD3496 Discontinued
0.6132 Remote Similarity NPD2329 Discontinued
0.6129 Remote Similarity NPD111 Approved
0.6111 Remote Similarity NPD9508 Approved
0.61 Remote Similarity NPD1099 Approved
0.61 Remote Similarity NPD1100 Approved
0.61 Remote Similarity NPD9566 Approved
0.6095 Remote Similarity NPD6685 Approved
0.6095 Remote Similarity NPD5704 Approved
0.6095 Remote Similarity NPD5706 Approved
0.6095 Remote Similarity NPD5705 Approved
0.6091 Remote Similarity NPD5951 Approved
0.6078 Remote Similarity NPD2552 Approved
0.6078 Remote Similarity NPD2550 Approved
0.6078 Remote Similarity NPD2555 Approved
0.6078 Remote Similarity NPD2553 Approved
0.6078 Remote Similarity NPD2549 Approved
0.6078 Remote Similarity NPD2558 Approved
0.6075 Remote Similarity NPD1317 Discontinued
0.6071 Remote Similarity NPD5536 Phase 2
0.6071 Remote Similarity NPD1673 Approved
0.6068 Remote Similarity NPD2199 Approved
0.6068 Remote Similarity NPD2198 Approved
0.6055 Remote Similarity NPD6858 Approved
0.6055 Remote Similarity NPD7094 Approved
0.6047 Remote Similarity NPD9728 Phase 1
0.604 Remote Similarity NPD253 Approved
0.6038 Remote Similarity NPD9267 Approved
0.6038 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6038 Remote Similarity NPD9263 Approved
0.6038 Remote Similarity NPD9264 Approved
0.6034 Remote Similarity NPD1877 Discontinued
0.6034 Remote Similarity NPD9717 Approved
0.6019 Remote Similarity NPD4188 Approved
0.6019 Remote Similarity NPD4189 Approved
0.6017 Remote Similarity NPD553 Approved
0.6017 Remote Similarity NPD552 Approved
0.6017 Remote Similarity NPD9567 Approved
0.6 Remote Similarity NPD794 Clinical (unspecified phase)
0.5982 Remote Similarity NPD4431 Clinical (unspecified phase)
0.5982 Remote Similarity NPD5291 Approved
0.5982 Remote Similarity NPD5292 Approved
0.5981 Remote Similarity NPD74 Approved
0.5981 Remote Similarity NPD9266 Approved
0.598 Remote Similarity NPD1067 Discontinued
0.598 Remote Similarity NPD3097 Clinical (unspecified phase)
0.5977 Remote Similarity NPD505 Clinical (unspecified phase)
0.5966 Remote Similarity NPD1019 Discontinued
0.5965 Remote Similarity NPD5585 Approved
0.5962 Remote Similarity NPD5765 Approved
0.596 Remote Similarity NPD1080 Approved
0.5955 Remote Similarity NPD4144 Approved
0.5955 Remote Similarity NPD603 Approved
0.5955 Remote Similarity NPD4147 Approved
0.5948 Remote Similarity NPD422 Phase 1
0.5946 Remote Similarity NPD2629 Approved
0.5941 Remote Similarity NPD1076 Approved
0.5938 Remote Similarity NPD1101 Approved
0.5926 Remote Similarity NPD4233 Approved
0.5926 Remote Similarity NPD1756 Approved
0.5926 Remote Similarity NPD1752 Approved
0.5926 Remote Similarity NPD4234 Approved
0.5913 Remote Similarity NPD1778 Approved
0.5905 Remote Similarity NPD3047 Approved
0.5905 Remote Similarity NPD3048 Approved
0.5905 Remote Similarity NPD3046 Approved
0.59 Remote Similarity NPD2933 Approved
0.59 Remote Similarity NPD1081 Clinical (unspecified phase)
0.59 Remote Similarity NPD2934 Approved
0.5889 Remote Similarity NPD293 Approved
0.5889 Remote Similarity NPD296 Approved
0.5889 Remote Similarity NPD295 Approved
0.5888 Remote Similarity NPD3420 Clinical (unspecified phase)
0.5888 Remote Similarity NPD290 Approved
0.5888 Remote Similarity NPD5979 Clinical (unspecified phase)
0.5877 Remote Similarity NPD1894 Discontinued
0.5876 Remote Similarity NPD9249 Phase 1
0.5868 Remote Similarity NPD6832 Phase 2
0.5865 Remote Similarity NPD2196 Discontinued
0.5865 Remote Similarity NPD2193 Phase 2
0.5865 Remote Similarity NPD2171 Approved
0.5865 Remote Similarity NPD2648 Phase 3
0.5865 Remote Similarity NPD813 Approved
0.5862 Remote Similarity NPD3847 Discontinued

Structure

External Identifiers

PubChem CID   637520
ChEMBL   CHEMBL55060
ZINC  

Physicochemical Properties

Molecular Weight:  162.07
ALogP:  0.3723
MLogP:  2.34
XLogP:  4.225
# Rotatable Bonds:  4
Polar Surface Area:  26.3
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  12

Download Data

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