Natural Product: NPC233731

Natural Product ID:  NPC233731
Common Name:   Isoeugenol
IUPAC Name:   2-methoxy-4-[(Z)-prop-1-enyl]phenol
Synonyms:   Isoeugenol
Molecular Formula:   C10H12O2
Standard InCHIKey:  BJIOGJUNALELMI-ARJAWSKDSA-N
Standard InCHI:  InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3-
Canonical SMILES:  C/C=Cc1ccc(c(c1)OC)O
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
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota TM-MC*
NPO21771 Citrus trifoliata Species Rutaceae Eukaryota TM-MC*
NPO4640 Portulaca oleracea Species Portulacaceae Eukaryota TM-MC*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TM-MC*
NPO5986 Ziziphus jujuba Species Rhamnaceae Eukaryota TM-MC*
NPO26657 Conocephalum conicum Species Conocephalaceae Eukaryota TCMID*
NPO32949 diphlolophium buchanani Species NA NA J. Nat. Prod.,1995,58: 128-130
NPO10515 Angelicae sinensis radix NA NA NA TCMSP*
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota TM-MC*
NPO11438 Angelica gigas Species Apiaceae Eukaryota TM-MC*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TM-MC*
NPO9546 Cinamomum cassia NA NA NA TM-MC*
NPO8255 Cinnamomum aromaticum Species Lauraceae Eukaryota TM-MC*
NPO7317 Citrus aurantium Species Rutaceae Eukaryota TM-MC*
NPO5270 Citrus natsudaidai Species Rutaceae Eukaryota TM-MC*
NPO19787 Citrus sinensis Species Rutaceae Eukaryota TM-MC*
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota TM-MC*
NPO23628 Imperata cylindrica Species Poaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT299 Individual Protein Androgen Receptor Rattus norvegicus IC50 = 204173.79 nM 16134935
NPT2 Others Unspecified Ki = 14200 nM 18505250
NPT3540 Organism Cochliobolus lunatus Cochliobolus lunatus Activity = 0.29 millimeter/hr 18505250
NPT3540 Organism Cochliobolus lunatus Cochliobolus lunatus Activity = 56 hr 18505250
NPT3540 Organism Cochliobolus lunatus Cochliobolus lunatus Activity = 0 millimeter/hr 18505250
NPT3540 Organism Cochliobolus lunatus Cochliobolus lunatus Activity > 1800 hr 18505250
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae MIC = 400 ug/ml 8463795
NPT20 Organism Candida albicans Candida albicans MIC = 400 ug/ml 8463795
NPT523 Organism Malassezia furfur Malassezia furfur MIC = 200 ug/ml 8463795
NPT1819 Organism Microsporum canis Arthroderma otae MIC > 50 ug/ml 10543891
NPT327 Organism Microsporum gypseum Microsporum gypseum MIC > 50 ug/ml 10543891
NPT330 Organism Trichophyton mentagrophytes Trichophyton mentagrophytes MIC > 50 ug/ml 10543891
NPT329 Organism Trichophyton rubrum Trichophyton rubrum MIC > 50 ug/ml 10543891
NPT328 Organism Epidermophyton floccosum Epidermophyton floccosum MIC > 50 ug/ml 10543891
NPT2 Others Unspecified Inhibition = 28 % 21843909
NPT2 Others Unspecified Inhibition = 42 % 21843909
NPT2 Others Unspecified Inhibition = 90 % 21843909
NPT2 Others Unspecified Inhibition = 96 % 21843909
NPT2 Others Unspecified Inhibition = 91 % 21843909
NPT2 Others Unspecified Inhibition = 82 % 21843909
NPT1 Others Radical scavenging activity IC50 = 40670 nM 21843909
NPT2 Others Unspecified IC50 = 8840 nM 21843909
NPT2 Others Unspecified IC50 = 42260 nM 21843909
NPT2 Others Unspecified Activity = 0.32 21843909
NPT2 Others Unspecified Activity = 0.37 21843909
NPT2 Others Unspecified Activity = 0.41 21843909
NPT2 Others Unspecified Activity = 0.43 21843909
NPT554 Organism Candida glabrata Candida glabrata IC50 = 71.61 ug/ml 25686593
NPT20 Organism Candida albicans Candida albicans MFC = 1000 ug/ml 25686593
NPT20 Organism Candida albicans Candida albicans IC50 = 82.98 ug/ml 25686593
NPT554 Organism Candida glabrata Candida glabrata MFC = 500 ug/ml 25686593
NPT186 Organism Candida tropicalis Candida tropicalis IC50 = 127.73 ug/ml 25686593
NPT186 Organism Candida tropicalis Candida tropicalis MFC = 1000 ug/ml 25686593

  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 NPC233731 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 NPC246358
1.0 High Similarity NPC36108
1.0 High Similarity NPC7097
0.9806 High Similarity NPC78918
0.9806 High Similarity NPC257124
0.9806 High Similarity NPC139617
0.9806 High Similarity NPC8547
0.9806 High Similarity NPC173746
0.9806 High Similarity NPC156840
0.9429 High Similarity NPC195873
0.9417 High Similarity NPC227894
0.9352 High Similarity NPC221049
0.9307 High Similarity NPC310905
0.9307 High Similarity NPC12714
0.9266 High Similarity NPC164386
0.9266 High Similarity NPC293619
0.9266 High Similarity NPC39793
0.9266 High Similarity NPC259638
0.9182 High Similarity NPC107588
0.9182 High Similarity NPC70744
0.9182 High Similarity NPC137537
0.9182 High Similarity NPC255675
0.9182 High Similarity NPC470626
0.9182 High Similarity NPC164706
0.9182 High Similarity NPC272471
0.9174 High Similarity NPC193067
0.9151 High Similarity NPC137685
0.9126 High Similarity NPC292792
0.9099 High Similarity NPC311595
0.9099 High Similarity NPC281298
0.9099 High Similarity NPC181969
0.9099 High Similarity NPC320987
0.9099 High Similarity NPC310338
0.9099 High Similarity NPC24474
0.9099 High Similarity NPC299406
0.9099 High Similarity NPC20674
0.9065 High Similarity NPC55300
0.9018 High Similarity NPC117780
0.9018 High Similarity NPC10932
0.9018 High Similarity NPC148615
0.9018 High Similarity NPC242885
0.9018 High Similarity NPC247364
0.9018 High Similarity NPC35071
0.9018 High Similarity NPC232084
0.9018 High Similarity NPC61516
0.9018 High Similarity NPC2058
0.9018 High Similarity NPC227217
0.9018 High Similarity NPC95614
0.9018 High Similarity NPC165133
0.9018 High Similarity NPC177475
0.9018 High Similarity NPC56214
0.9018 High Similarity NPC232316
0.9018 High Similarity NPC229401
0.9018 High Similarity NPC202474
0.8981 High Similarity NPC165646
0.8942 High Similarity NPC12987
0.8942 High Similarity NPC474603
0.8938 High Similarity NPC207613
0.8938 High Similarity NPC158949
0.8938 High Similarity NPC109083
0.8938 High Similarity NPC14007
0.8938 High Similarity NPC189844
0.8938 High Similarity NPC60962
0.8938 High Similarity NPC269843
0.8938 High Similarity NPC224814
0.8938 High Similarity NPC204466
0.8919 High Similarity NPC86947
0.8868 High Similarity NPC258171
0.886 High Similarity NPC312675
0.886 High Similarity NPC113865
0.886 High Similarity NPC70752
0.886 High Similarity NPC470212
0.886 High Similarity NPC473853
0.886 High Similarity NPC184651
0.886 High Similarity NPC160380
0.886 High Similarity NPC194416
0.886 High Similarity NPC343720
0.886 High Similarity NPC476343
0.886 High Similarity NPC201777
0.886 High Similarity NPC54872
0.886 High Similarity NPC262156
0.886 High Similarity NPC470804
0.886 High Similarity NPC177291
0.886 High Similarity NPC324571
0.886 High Similarity NPC38996
0.8839 High Similarity NPC212743
0.8818 High Similarity NPC294941
0.8812 High Similarity NPC107522
0.8783 High Similarity NPC85488
0.8783 High Similarity NPC286573
0.8783 High Similarity NPC262253
0.8783 High Similarity NPC473411
0.8783 High Similarity NPC114298
0.8783 High Similarity NPC71579
0.8783 High Similarity NPC209567
0.8783 High Similarity NPC41562
0.8761 High Similarity NPC226629
0.8761 High Similarity NPC135961
0.8738 High Similarity NPC131587
0.8713 High Similarity NPC114325
0.8707 High Similarity NPC317769
0.8707 High Similarity NPC280704
0.8707 High Similarity NPC140359
0.8707 High Similarity NPC257976
0.8707 High Similarity NPC31344
0.8707 High Similarity NPC160900
0.8707 High Similarity NPC163083
0.8707 High Similarity NPC228922
0.8707 High Similarity NPC106659
0.8707 High Similarity NPC18984
0.8707 High Similarity NPC242372
0.8707 High Similarity NPC471693
0.8707 High Similarity NPC164778
0.8707 High Similarity NPC4181
0.8707 High Similarity NPC229084
0.8707 High Similarity NPC197757
0.8707 High Similarity NPC238810
0.8707 High Similarity NPC13020
0.8704 High Similarity NPC127326
0.8696 High Similarity NPC290451
0.8696 High Similarity NPC49341
0.8696 High Similarity NPC127389
0.8684 High Similarity NPC474565
0.8641 High Similarity NPC109955
0.8632 High Similarity NPC312404
0.8632 High Similarity NPC5796
0.8632 High Similarity NPC20443
0.8632 High Similarity NPC74478
0.8632 High Similarity NPC246704
0.8632 High Similarity NPC60517
0.8632 High Similarity NPC183446
0.8632 High Similarity NPC206487
0.8632 High Similarity NPC146886
0.8632 High Similarity NPC273686
0.8624 High Similarity NPC179309
0.8611 High Similarity NPC75440
0.8609 High Similarity NPC166759
0.8584 High Similarity NPC280001
0.8571 High Similarity NPC110764
0.8559 High Similarity NPC289459
0.8559 High Similarity NPC194519
0.8559 High Similarity NPC57490
0.8559 High Similarity NPC82483
0.8559 High Similarity NPC233410
0.8559 High Similarity NPC280767
0.8559 High Similarity NPC257589
0.8559 High Similarity NPC300326
0.8559 High Similarity NPC29008
0.8559 High Similarity NPC271985
0.8559 High Similarity NPC203133
0.8559 High Similarity NPC9067
0.8559 High Similarity NPC472093
0.8559 High Similarity NPC116907
0.8559 High Similarity NPC60885
0.8559 High Similarity NPC298757
0.8559 High Similarity NPC53305
0.8559 High Similarity NPC148627
0.8559 High Similarity NPC117214
0.8559 High Similarity NPC265483
0.8559 High Similarity NPC193544
0.8559 High Similarity NPC475169
0.8559 High Similarity NPC266705
0.8559 High Similarity NPC299584
0.8559 High Similarity NPC228771
0.8559 High Similarity NPC208950
0.8559 High Similarity NPC234400
0.8559 High Similarity NPC221077
0.8559 High Similarity NPC58279
0.8559 High Similarity NPC17943
0.8559 High Similarity NPC251855
0.8547 High Similarity NPC165375
0.8547 High Similarity NPC220598
0.8545 High Similarity NPC203924
0.8545 High Similarity NPC226250
0.8545 High Similarity NPC245552
0.8534 High Similarity NPC145780
0.8534 High Similarity NPC285289
0.8532 High Similarity NPC165386
0.8509 High Similarity NPC474214
0.8509 High Similarity NPC474040
0.8509 High Similarity NPC205502
0.8509 High Similarity NPC124916
0.8491 Intermediate Similarity NPC196479
0.8487 Intermediate Similarity NPC92207
0.8487 Intermediate Similarity NPC127937
0.8487 Intermediate Similarity NPC191037
0.8487 Intermediate Similarity NPC18924
0.8487 Intermediate Similarity NPC304630
0.8487 Intermediate Similarity NPC120225
0.8487 Intermediate Similarity NPC90128
0.8487 Intermediate Similarity NPC303680
0.8487 Intermediate Similarity NPC179777
0.8487 Intermediate Similarity NPC84076
0.8487 Intermediate Similarity NPC276014
0.8487 Intermediate Similarity NPC78974
0.8487 Intermediate Similarity NPC274356
0.8487 Intermediate Similarity NPC223136
0.8487 Intermediate Similarity NPC178284
0.8487 Intermediate Similarity NPC103823
0.8487 Intermediate Similarity NPC214406

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC233731 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
0.9806 High Similarity NPD228 Approved
0.8713 High Similarity NPD9296 Approved
0.8707 High Similarity NPD4379 Clinical (unspecified phase)
0.8596 High Similarity NPD1357 Approved
0.8417 Intermediate Similarity NPD9494 Approved
0.8393 Intermediate Similarity NPD5283 Phase 1
0.8279 Intermediate Similarity NPD3027 Phase 3
0.8211 Intermediate Similarity NPD3145 Approved
0.8211 Intermediate Similarity NPD3144 Approved
0.8145 Intermediate Similarity NPD2674 Phase 3
0.8108 Intermediate Similarity NPD2684 Approved
0.8103 Intermediate Similarity NPD5536 Phase 2
0.8036 Intermediate Similarity NPD3022 Approved
0.8036 Intermediate Similarity NPD3021 Approved
0.8018 Intermediate Similarity NPD290 Approved
0.7937 Intermediate Similarity NPD1558 Phase 1
0.7937 Intermediate Similarity NPD3620 Phase 2
0.7937 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7903 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.789 Intermediate Similarity NPD291 Approved
0.7826 Intermediate Similarity NPD7843 Approved
0.7823 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7822 Intermediate Similarity NPD111 Approved
0.7795 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7795 Intermediate Similarity NPD1613 Approved
0.7787 Intermediate Similarity NPD2982 Phase 2
0.7787 Intermediate Similarity NPD2983 Phase 2
0.7778 Intermediate Similarity NPD7157 Approved
0.7768 Intermediate Similarity NPD968 Approved
0.7705 Intermediate Similarity NPD2981 Phase 2
0.7699 Intermediate Similarity NPD1358 Approved
0.7692 Intermediate Similarity NPD9295 Approved
0.7672 Intermediate Similarity NPD9377 Approved
0.7672 Intermediate Similarity NPD9379 Approved
0.7627 Intermediate Similarity NPD6671 Approved
0.7623 Intermediate Similarity NPD3705 Approved
0.7547 Intermediate Similarity NPD9365 Approved
0.754 Intermediate Similarity NPD3018 Phase 2
0.7521 Intermediate Similarity NPD821 Approved
0.75 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD2934 Approved
0.75 Intermediate Similarity NPD9280 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD2933 Approved
0.75 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7477 Intermediate Similarity NPD1242 Phase 1
0.7459 Intermediate Similarity NPD4626 Approved
0.7456 Intermediate Similarity NPD3134 Approved
0.7442 Intermediate Similarity NPD1726 Clinical (unspecified phase)
0.7431 Intermediate Similarity NPD2859 Approved
0.7431 Intermediate Similarity NPD844 Approved
0.7431 Intermediate Similarity NPD2860 Approved
0.7395 Intermediate Similarity NPD9299 Approved
0.7387 Intermediate Similarity NPD3020 Approved
0.7385 Intermediate Similarity NPD4060 Phase 1
0.7364 Intermediate Similarity NPD288 Approved
0.7344 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD3060 Approved
0.7323 Intermediate Similarity NPD6584 Phase 3
0.7321 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD9381 Approved
0.7317 Intermediate Similarity NPD9384 Approved
0.7302 Intermediate Similarity NPD2922 Phase 1
0.7295 Intermediate Similarity NPD1548 Phase 1
0.7265 Intermediate Similarity NPD5451 Approved
0.7265 Intermediate Similarity NPD556 Approved
0.7239 Intermediate Similarity NPD2161 Phase 2
0.7231 Intermediate Similarity NPD5111 Phase 2
0.7231 Intermediate Similarity NPD5718 Phase 2
0.7231 Intermediate Similarity NPD5109 Approved
0.7231 Intermediate Similarity NPD5110 Phase 2
0.7222 Intermediate Similarity NPD9622 Approved
0.72 Intermediate Similarity NPD1610 Phase 2
0.7197 Intermediate Similarity NPD447 Suspended
0.719 Intermediate Similarity NPD709 Approved
0.7177 Intermediate Similarity NPD2668 Approved
0.7177 Intermediate Similarity NPD1778 Approved
0.7177 Intermediate Similarity NPD2667 Approved
0.7177 Intermediate Similarity NPD6516 Phase 2
0.7177 Intermediate Similarity NPD5846 Approved
0.7176 Intermediate Similarity NPD554 Clinical (unspecified phase)
0.7165 Intermediate Similarity NPD1283 Approved
0.7154 Intermediate Similarity NPD2669 Clinical (unspecified phase)
0.7154 Intermediate Similarity NPD1182 Approved
0.7154 Intermediate Similarity NPD7095 Approved
0.7143 Intermediate Similarity NPD2232 Approved
0.7143 Intermediate Similarity NPD2230 Approved
0.7143 Intermediate Similarity NPD2233 Approved
0.7132 Intermediate Similarity NPD2861 Phase 2
0.7132 Intermediate Similarity NPD7153 Discontinued
0.712 Intermediate Similarity NPD3496 Discontinued
0.7113 Intermediate Similarity NPD824 Approved
0.7109 Intermediate Similarity NPD987 Approved
0.7105 Intermediate Similarity NPD940 Approved
0.7105 Intermediate Similarity NPD846 Approved
0.7101 Intermediate Similarity NPD5241 Discontinued
0.7097 Intermediate Similarity NPD5691 Approved
0.7097 Intermediate Similarity NPD1651 Approved
0.7087 Intermediate Similarity NPD6583 Phase 3
0.7087 Intermediate Similarity NPD1669 Approved
0.7087 Intermediate Similarity NPD6582 Phase 2
0.708 Intermediate Similarity NPD4237 Approved
0.708 Intermediate Similarity NPD4236 Phase 3
0.708 Intermediate Similarity NPD4162 Approved
0.7071 Intermediate Similarity NPD1754 Clinical (unspecified phase)
0.7068 Intermediate Similarity NPD230 Phase 1
0.7063 Intermediate Similarity NPD776 Approved
0.7063 Intermediate Similarity NPD1091 Approved
0.7063 Intermediate Similarity NPD422 Phase 1
0.7059 Intermediate Similarity NPD1375 Discontinued
0.7054 Intermediate Similarity NPD4624 Approved
0.7054 Intermediate Similarity NPD9620 Approved
0.7054 Intermediate Similarity NPD9619 Approved
0.7054 Intermediate Similarity NPD9621 Approved
0.7042 Intermediate Similarity NPD1653 Approved
0.7031 Intermediate Similarity NPD9634 Clinical (unspecified phase)
0.7029 Intermediate Similarity NPD4110 Phase 3
0.7029 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7029 Intermediate Similarity NPD6331 Phase 2
0.7025 Intermediate Similarity NPD1241 Discontinued
0.7008 Intermediate Similarity NPD2231 Phase 2
0.7008 Intermediate Similarity NPD2337 Clinical (unspecified phase)
0.7008 Intermediate Similarity NPD2235 Phase 2
0.7 Intermediate Similarity NPD4357 Discontinued
0.7 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.6984 Remote Similarity NPD3847 Discontinued
0.6978 Remote Similarity NPD2219 Phase 1
0.6977 Remote Similarity NPD3053 Approved
0.6977 Remote Similarity NPD1817 Approved
0.6977 Remote Similarity NPD1819 Approved
0.6977 Remote Similarity NPD1820 Approved
0.6977 Remote Similarity NPD3055 Approved
0.6977 Remote Similarity NPD1818 Approved
0.6966 Remote Similarity NPD1934 Approved
0.6964 Remote Similarity NPD1809 Phase 2
0.6963 Remote Similarity NPD6896 Approved
0.6963 Remote Similarity NPD6895 Approved
0.6957 Remote Similarity NPD5177 Phase 3
0.6953 Remote Similarity NPD3676 Clinical (unspecified phase)
0.6953 Remote Similarity NPD4749 Approved
0.695 Remote Similarity NPD4123 Phase 3
0.6947 Remote Similarity NPD4908 Phase 1
0.6944 Remote Similarity NPD9094 Approved
0.6942 Remote Similarity NPD5535 Approved
0.694 Remote Similarity NPD5735 Approved
0.694 Remote Similarity NPD3657 Discovery
0.6937 Remote Similarity NPD845 Approved
0.6934 Remote Similarity NPD7266 Discontinued
0.6934 Remote Similarity NPD3540 Phase 1
0.6929 Remote Similarity NPD1535 Discovery
0.6929 Remote Similarity NPD1281 Approved
0.6923 Remote Similarity NPD258 Approved
0.6923 Remote Similarity NPD257 Approved
0.6918 Remote Similarity NPD2801 Approved
0.6918 Remote Similarity NPD2977 Approved
0.6918 Remote Similarity NPD2978 Approved
0.6917 Remote Similarity NPD259 Phase 1
0.6912 Remote Similarity NPD6029 Clinical (unspecified phase)
0.6912 Remote Similarity NPD6028 Clinical (unspecified phase)
0.6899 Remote Similarity NPD5310 Approved
0.6899 Remote Similarity NPD5311 Approved
0.6899 Remote Similarity NPD8651 Approved
0.6897 Remote Similarity NPD9500 Approved
0.6889 Remote Similarity NPD6653 Approved
0.6889 Remote Similarity NPD2492 Phase 1
0.6889 Remote Similarity NPD2653 Approved
0.688 Remote Similarity NPD1894 Discontinued
0.688 Remote Similarity NPD9545 Approved
0.6879 Remote Similarity NPD1511 Approved
0.6875 Remote Similarity NPD1481 Phase 2
0.6875 Remote Similarity NPD1840 Phase 2
0.6875 Remote Similarity NPD1608 Approved
0.6875 Remote Similarity NPD3111 Phase 1
0.6866 Remote Similarity NPD5837 Clinical (unspecified phase)
0.6866 Remote Similarity NPD825 Approved
0.6866 Remote Similarity NPD826 Approved
0.6864 Remote Similarity NPD1444 Approved
0.6864 Remote Similarity NPD1445 Approved
0.6861 Remote Similarity NPD3539 Phase 1
0.6842 Remote Similarity NPD597 Approved
0.6842 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6842 Remote Similarity NPD601 Approved
0.6842 Remote Similarity NPD6798 Discontinued
0.6842 Remote Similarity NPD598 Approved
0.6838 Remote Similarity NPD6111 Discontinued
0.6838 Remote Similarity NPD9610 Approved
0.6838 Remote Similarity NPD9608 Approved
0.6838 Remote Similarity NPD9501 Approved
0.6831 Remote Similarity NPD4739 Approved
0.6825 Remote Similarity NPD5585 Approved
0.6824 Remote Similarity NPD3882 Suspended
0.6822 Remote Similarity NPD5327 Phase 3
0.6822 Remote Similarity NPD3685 Discontinued
0.6818 Remote Similarity NPD600 Approved
0.6818 Remote Similarity NPD596 Approved
0.6815 Remote Similarity NPD6355 Discontinued
0.6815 Remote Similarity NPD555 Phase 2
0.6812 Remote Similarity NPD2029 Clinical (unspecified phase)
0.6807 Remote Similarity NPD9552 Approved
0.6806 Remote Similarity NPD3686 Approved
0.6806 Remote Similarity NPD3687 Approved

Structure

External Identifiers

PubChem CID   1549041
ChEMBL   CHEMBL445206
ZINC  

Physicochemical Properties

Molecular Weight:  164.08
ALogP:  0.3952
MLogP:  2.34
XLogP:  2.805
# Rotatable Bonds:  5
Polar Surface Area:  29.46
# H-Bond Aceptor:  0
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  12

Download Data

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