Natural Product: NPC122009

Natural Product ID:  NPC122009
Common Name:   Trans-N-Caffeoyltyramine
IUPAC Name:   (E)-3-(3,4-dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
Synonyms:   Trans-N-Caffeoyltyramine
Molecular Formula:   C17H17NO4
Standard InCHIKey:  VSHUQLRHTJOKTA-XBXARRHUSA-N
Standard InCHI:  InChI=1S/C17H17NO4/c19-14-5-1-12(2-6-14)9-10-18-17(22)8-4-13-3-7-15(20)16(21)11-13/h1-8,11,19-21H,9-10H2,(H,18,22)/b8-4+
Canonical SMILES:  OC(=NCCc1ccc(cc1)O)/C=C/c1ccc(c(c1)O)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
NPO11657 Angelica lucida Species Apiaceae Eukaryota UNPD*
NPO23429 Lycium barbarum Species Solanaceae Eukaryota TM-MC*
NPO11877 Penicillium herquei Species Aspergillaceae Eukaryota UNPD*
NPO17823 Lycium chinense Species Solanaceae Eukaryota TM-MC*
NPO17823 Lycium chinense Species Solanaceae Eukaryota Root barks PMID[23282106]
NPO9927 Crinum asiaticum Species Amaryllidaceae Eukaryota TCMID*
NPO1697 Bitis gabonica Species Viperidae Eukaryota UNPD*
NPO23429 Lycium barbarum Species Solanaceae Eukaryota TCMID*
NPO9485 Haplopappus deserticola Species Asteraceae Eukaryota UNPD*
NPO9927 Crinum asiaticum Species Amaryllidaceae Eukaryota UNPD*
NPO11934 Castanea vesca Species Fagaceae Eukaryota UNPD*
NPO11823 Marine actinobacterium NA NA NA UNPD*
NPO1831 Pseudodistoma arborescens Species Pseudodistomidae Eukaryota UNPD*
NPO8127 Veronica arvensis Species Plantaginaceae Eukaryota UNPD*
NPO10149 Lespedeza bicolor Species Fabaceae Eukaryota UNPD*
NPO1412 Artemisia juncea Species Asteraceae Eukaryota UNPD*
NPO9153 Sorbaria sorbifolia Species Rosaceae Eukaryota UNPD*
NPO5735 Solidago serotina Species Asteraceae Eukaryota UNPD*
NPO4969 Sesbania bispinosa Species Fabaceae Eukaryota UNPD*
NPO17823 Lycium chinense Species Solanaceae Eukaryota TCM_Taiwan*
NPO19776 Hesperocyparis arizonica Species Cupressaceae Eukaryota UNPD*
NPO11771 Strophanthus kombe Species Apocynaceae Eukaryota UNPD*
NPO21255 Hymenoxys insignis Species Asteraceae Eukaryota UNPD*
NPO14564 Oophaga pumilio Species Dendrobatidae Eukaryota UNPD*
NPO8752 Xylaria cubensis Species Xylariaceae Eukaryota UNPD*
NPO6845 Mimusops caffra Species Sapotaceae Eukaryota UNPD*
NPO3630 Crotalaria crispata Species Fabaceae Eukaryota UNPD*
NPO9252 Adina sessilifolia Species Rubiaceae Eukaryota UNPD*
NPO11473 Viburnum lantana Species Adoxaceae Eukaryota UNPD*
NPO1346 Nerine bowdenii Species Amaryllidaceae Eukaryota UNPD*
NPO11000 Eupatorium laevigatum Species Asteraceae Eukaryota UNPD*
NPO13472 Cotula cinerea Species Asteraceae Eukaryota UNPD*
NPO9144 Atriplex parvifolia Species Chenopodiaceae Eukaryota UNPD*
NPO3995 Limonium sinense Species Plumbaginaceae Eukaryota UNPD*
NPO6622 Artemisia klotzchiana Species Asteraceae Eukaryota UNPD*
NPO138 Daphniphyllum paxianum Species Daphniphyllaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT741 Individual Protein Tyrosinase Homo sapiens Inhibition = 100 % 16442796
NPT1 Others Radical scavenging activity Activity = 40 % 16442796
NPT319 Cell Line B16 Mus musculus Activity = 84 % 19524439
NPT741 Individual Protein Tyrosinase Homo sapiens Activity = 30 % 19524439
NPT2739 Individual Protein Tyrosinase Mus musculus Activity = 15 % 19524439
NPT2 Others Unspecified IC50 = 44100 nM 23282106
NPT1 Others Radical scavenging activity IC50 = 47600 nM 23282106
NPT2 Others Unspecified IC50 = 1860 nM 26974386
NPT2 Others Unspecified Ki = 1770 nM 26974386

  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 NPC122009 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
0.9909 High Similarity NPC283468
0.9732 High Similarity NPC268572
0.9224 High Similarity NPC284078
0.9167 High Similarity NPC251571
0.9115 High Similarity NPC142599
0.9091 High Similarity NPC24101
0.9091 High Similarity NPC96224
0.9016 High Similarity NPC195749
0.9016 High Similarity NPC35961
0.9016 High Similarity NPC52029
0.8934 High Similarity NPC155838
0.8871 High Similarity NPC214869
0.879 High Similarity NPC114102
0.8699 High Similarity NPC186898
0.8661 High Similarity NPC6913
0.8661 High Similarity NPC142297
0.8629 High Similarity NPC271808
0.8584 High Similarity NPC153690
0.8571 High Similarity NPC231705
0.8548 High Similarity NPC153990
0.8527 High Similarity NPC204848
0.8527 High Similarity NPC312770
0.8527 High Similarity NPC41473
0.8527 High Similarity NPC14600
0.8527 High Similarity NPC160607
0.85 High Similarity NPC252817
0.8468 Intermediate Similarity NPC178902
0.8468 Intermediate Similarity NPC301713
0.8462 Intermediate Similarity NPC299583
0.8462 Intermediate Similarity NPC296898
0.8455 Intermediate Similarity NPC223393
0.8448 Intermediate Similarity NPC146422
0.8403 Intermediate Similarity NPC38458
0.8403 Intermediate Similarity NPC311737
0.84 Intermediate Similarity NPC477839
0.8393 Intermediate Similarity NPC471511
0.8348 Intermediate Similarity NPC254833
0.8348 Intermediate Similarity NPC228343
0.8348 Intermediate Similarity NPC258056
0.8319 Intermediate Similarity NPC82963
0.8276 Intermediate Similarity NPC174096
0.8276 Intermediate Similarity NPC120982
0.8276 Intermediate Similarity NPC226401
0.8276 Intermediate Similarity NPC474149
0.8276 Intermediate Similarity NPC147634
0.8276 Intermediate Similarity NPC79793
0.824 Intermediate Similarity NPC318965
0.8235 Intermediate Similarity NPC37302
0.8205 Intermediate Similarity NPC257430
0.8205 Intermediate Similarity NPC179002
0.8205 Intermediate Similarity NPC297657
0.8205 Intermediate Similarity NPC187583
0.819 Intermediate Similarity NPC55617
0.819 Intermediate Similarity NPC62258
0.8182 Intermediate Similarity NPC85276
0.8158 Intermediate Similarity NPC239291
0.8142 Intermediate Similarity NPC196479
0.814 Intermediate Similarity NPC130595
0.814 Intermediate Similarity NPC93882
0.8134 Intermediate Similarity NPC100478
0.8134 Intermediate Similarity NPC222039
0.8108 Intermediate Similarity NPC109955
0.8088 Intermediate Similarity NPC5462
0.8083 Intermediate Similarity NPC317254
0.8077 Intermediate Similarity NPC6854
0.8077 Intermediate Similarity NPC313737
0.8077 Intermediate Similarity NPC285078
0.8062 Intermediate Similarity NPC308885
0.8062 Intermediate Similarity NPC255550
0.8015 Intermediate Similarity NPC218530
0.8 Intermediate Similarity NPC120280
0.8 Intermediate Similarity NPC118202
0.7983 Intermediate Similarity NPC51698
0.7967 Intermediate Similarity NPC43275
0.7949 Intermediate Similarity NPC105727
0.7949 Intermediate Similarity NPC34864
0.7949 Intermediate Similarity NPC114392
0.7949 Intermediate Similarity NPC58427
0.7949 Intermediate Similarity NPC233835
0.7931 Intermediate Similarity NPC477814
0.7928 Intermediate Similarity NPC107522
0.7914 Intermediate Similarity NPC470935
0.7914 Intermediate Similarity NPC153644
0.7914 Intermediate Similarity NPC471032
0.7903 Intermediate Similarity NPC115627
0.7903 Intermediate Similarity NPC263835
0.7903 Intermediate Similarity NPC118522
0.7903 Intermediate Similarity NPC169207
0.7899 Intermediate Similarity NPC268032
0.7899 Intermediate Similarity NPC280382
0.7895 Intermediate Similarity NPC110764
0.7881 Intermediate Similarity NPC71266
0.7876 Intermediate Similarity NPC131587
0.7869 Intermediate Similarity NPC61062
0.7869 Intermediate Similarity NPC299252
0.7869 Intermediate Similarity NPC277394
0.7863 Intermediate Similarity NPC176527
0.7846 Intermediate Similarity NPC470706
0.7842 Intermediate Similarity NPC277857
0.7842 Intermediate Similarity NPC115144
0.784 Intermediate Similarity NPC83279
0.7823 Intermediate Similarity NPC283760
0.7807 Intermediate Similarity NPC155847
0.7807 Intermediate Similarity NPC289381
0.7805 Intermediate Similarity NPC145023
0.7805 Intermediate Similarity NPC610
0.7805 Intermediate Similarity NPC175799
0.7805 Intermediate Similarity NPC200988
0.7786 Intermediate Similarity NPC473724
0.7786 Intermediate Similarity NPC45191
0.7778 Intermediate Similarity NPC474862
0.7769 Intermediate Similarity NPC471485
0.7768 Intermediate Similarity NPC274678
0.7761 Intermediate Similarity NPC126637
0.7759 Intermediate Similarity NPC52087
0.7759 Intermediate Similarity NPC120719
0.7759 Intermediate Similarity NPC12278
0.7746 Intermediate Similarity NPC127402
0.7742 Intermediate Similarity NPC86198
0.7742 Intermediate Similarity NPC470626
0.7742 Intermediate Similarity NPC144343
0.7734 Intermediate Similarity NPC95733
0.7734 Intermediate Similarity NPC62101
0.7721 Intermediate Similarity NPC477837
0.7721 Intermediate Similarity NPC477838
0.7721 Intermediate Similarity NPC323123
0.7719 Intermediate Similarity NPC125732
0.7717 Intermediate Similarity NPC471314
0.7717 Intermediate Similarity NPC471315
0.7704 Intermediate Similarity NPC254610
0.7699 Intermediate Similarity NPC82664
0.7699 Intermediate Similarity NPC292730
0.7699 Intermediate Similarity NPC132271
0.7699 Intermediate Similarity NPC216520
0.768 Intermediate Similarity NPC470215
0.768 Intermediate Similarity NPC70084
0.768 Intermediate Similarity NPC470214
0.768 Intermediate Similarity NPC141791
0.768 Intermediate Similarity NPC217174
0.768 Intermediate Similarity NPC109371
0.768 Intermediate Similarity NPC263386
0.7679 Intermediate Similarity NPC151715
0.7679 Intermediate Similarity NPC76938
0.7672 Intermediate Similarity NPC68055
0.7672 Intermediate Similarity NPC477802
0.7672 Intermediate Similarity NPC477801
0.7661 Intermediate Similarity NPC277588
0.7661 Intermediate Similarity NPC86947
0.7661 Intermediate Similarity NPC293619
0.7661 Intermediate Similarity NPC278652
0.7656 Intermediate Similarity NPC140359
0.7656 Intermediate Similarity NPC13020
0.7656 Intermediate Similarity NPC211218
0.7647 Intermediate Similarity NPC170170
0.7647 Intermediate Similarity NPC219233
0.7647 Intermediate Similarity NPC211468
0.7642 Intermediate Similarity NPC303370
0.7634 Intermediate Similarity NPC325651
0.7632 Intermediate Similarity NPC107619
0.7627 Intermediate Similarity NPC1786
0.7627 Intermediate Similarity NPC1075
0.7627 Intermediate Similarity NPC294902
0.7622 Intermediate Similarity NPC52475
0.7619 Intermediate Similarity NPC232316
0.7619 Intermediate Similarity NPC227217
0.7619 Intermediate Similarity NPC475245
0.7619 Intermediate Similarity NPC117780
0.7619 Intermediate Similarity NPC165133
0.7619 Intermediate Similarity NPC242885
0.7619 Intermediate Similarity NPC95614
0.7619 Intermediate Similarity NPC56214
0.7619 Intermediate Similarity NPC265454
0.7619 Intermediate Similarity NPC34634
0.7615 Intermediate Similarity NPC156944
0.7615 Intermediate Similarity NPC251466
0.7615 Intermediate Similarity NPC323775
0.7615 Intermediate Similarity NPC236347
0.7611 Intermediate Similarity NPC32714
0.7611 Intermediate Similarity NPC26244
0.7607 Intermediate Similarity NPC79672
0.7603 Intermediate Similarity NPC166837
0.7603 Intermediate Similarity NPC163674
0.7594 Intermediate Similarity NPC244866
0.7586 Intermediate Similarity NPC107602
0.7576 Intermediate Similarity NPC474091
0.7574 Intermediate Similarity NPC471283
0.7569 Intermediate Similarity NPC275027
0.7569 Intermediate Similarity NPC18614
0.7559 Intermediate Similarity NPC24125
0.7559 Intermediate Similarity NPC207613
0.7559 Intermediate Similarity NPC470848
0.7559 Intermediate Similarity NPC470849
0.7559 Intermediate Similarity NPC98305
0.7557 Intermediate Similarity NPC145888
0.7557 Intermediate Similarity NPC291449
0.7557 Intermediate Similarity NPC41331
0.7557 Intermediate Similarity NPC161593
0.7557 Intermediate Similarity NPC157740
0.7557 Intermediate Similarity NPC99798
0.7557 Intermediate Similarity NPC16031

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC122009 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
0.8908 High Similarity NPD2337 Clinical (unspecified phase)
0.8455 Intermediate Similarity NPD5310 Approved
0.8455 Intermediate Similarity NPD5311 Approved
0.8448 Intermediate Similarity NPD9379 Approved
0.8448 Intermediate Similarity NPD9377 Approved
0.8387 Intermediate Similarity NPD3055 Approved
0.8387 Intermediate Similarity NPD3053 Approved
0.8348 Intermediate Similarity NPD3021 Approved
0.8348 Intermediate Similarity NPD3022 Approved
0.814 Intermediate Similarity NPD2674 Phase 3
0.8077 Intermediate Similarity NPD3059 Approved
0.8077 Intermediate Similarity NPD3062 Approved
0.8077 Intermediate Similarity NPD3061 Approved
0.8062 Intermediate Similarity NPD2028 Clinical (unspecified phase)
0.8062 Intermediate Similarity NPD3144 Approved
0.8062 Intermediate Similarity NPD3145 Approved
0.7966 Intermediate Similarity NPD9280 Clinical (unspecified phase)
0.7955 Intermediate Similarity NPD5314 Approved
0.7917 Intermediate Similarity NPD2228 Approved
0.7917 Intermediate Similarity NPD2229 Approved
0.7917 Intermediate Similarity NPD2234 Approved
0.7903 Intermediate Similarity NPD9381 Approved
0.7903 Intermediate Similarity NPD9384 Approved
0.7874 Intermediate Similarity NPD9634 Clinical (unspecified phase)
0.7823 Intermediate Similarity NPD4093 Discontinued
0.7752 Intermediate Similarity NPD7451 Discontinued
0.7731 Intermediate Similarity NPD1792 Phase 2
0.7679 Intermediate Similarity NPD2933 Approved
0.7679 Intermediate Similarity NPD2934 Approved
0.7656 Intermediate Similarity NPD9622 Approved
0.7656 Intermediate Similarity NPD1669 Approved
0.7627 Intermediate Similarity NPD1445 Approved
0.7627 Intermediate Similarity NPD1444 Approved
0.7615 Intermediate Similarity NPD9621 Approved
0.7615 Intermediate Similarity NPD9620 Approved
0.7615 Intermediate Similarity NPD9619 Approved
0.7611 Intermediate Similarity NPD2859 Approved
0.7611 Intermediate Similarity NPD2860 Approved
0.7565 Intermediate Similarity NPD3020 Approved
0.7559 Intermediate Similarity NPD3421 Phase 3
0.7557 Intermediate Similarity NPD9569 Approved
0.7519 Intermediate Similarity NPD598 Approved
0.7519 Intermediate Similarity NPD597 Approved
0.7519 Intermediate Similarity NPD601 Approved
0.7518 Intermediate Similarity NPD1632 Clinical (unspecified phase)
0.7464 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7463 Intermediate Similarity NPD1132 Approved
0.7463 Intermediate Similarity NPD1136 Approved
0.7463 Intermediate Similarity NPD1130 Approved
0.746 Intermediate Similarity NPD2226 Clinical (unspecified phase)
0.7458 Intermediate Similarity NPD9610 Approved
0.7458 Intermediate Similarity NPD9608 Approved
0.7429 Intermediate Similarity NPD6331 Phase 2
0.7426 Intermediate Similarity NPD823 Approved
0.7426 Intermediate Similarity NPD817 Approved
0.7407 Intermediate Similarity NPD6346 Approved
0.7385 Intermediate Similarity NPD3676 Clinical (unspecified phase)
0.7357 Intermediate Similarity NPD3060 Approved
0.735 Intermediate Similarity NPD1242 Phase 1
0.7348 Intermediate Similarity NPD258 Approved
0.7348 Intermediate Similarity NPD257 Approved
0.7344 Intermediate Similarity NPD5238 Clinical (unspecified phase)
0.7344 Intermediate Similarity NPD1751 Approved
0.7343 Intermediate Similarity NPD4123 Phase 3
0.7333 Intermediate Similarity NPD259 Phase 1
0.7328 Intermediate Similarity NPD2922 Phase 1
0.7324 Intermediate Similarity NPD2422 Clinical (unspecified phase)
0.7324 Intermediate Similarity NPD3845 Phase 1
0.7323 Intermediate Similarity NPD5304 Approved
0.7323 Intermediate Similarity NPD1759 Phase 1
0.7323 Intermediate Similarity NPD5303 Approved
0.7317 Intermediate Similarity NPD228 Approved
0.7313 Intermediate Similarity NPD9537 Phase 1
0.7313 Intermediate Similarity NPD9536 Phase 1
0.7308 Intermediate Similarity NPD2562 Approved
0.7308 Intermediate Similarity NPD2561 Approved
0.7305 Intermediate Similarity NPD6658 Clinical (unspecified phase)
0.7295 Intermediate Similarity NPD9380 Clinical (unspecified phase)
0.7287 Intermediate Similarity NPD1983 Approved
0.7287 Intermediate Similarity NPD1980 Approved
0.7287 Intermediate Similarity NPD1981 Approved
0.728 Intermediate Similarity NPD1791 Approved
0.728 Intermediate Similarity NPD1793 Approved
0.7279 Intermediate Similarity NPD1558 Phase 1
0.7273 Intermediate Similarity NPD2420 Approved
0.7273 Intermediate Similarity NPD2421 Approved
0.7266 Intermediate Similarity NPD2161 Phase 2
0.7252 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7252 Intermediate Similarity NPD4659 Approved
0.7244 Intermediate Similarity NPD1758 Phase 1
0.7239 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7231 Intermediate Similarity NPD5351 Clinical (unspecified phase)
0.7231 Intermediate Similarity NPD5350 Clinical (unspecified phase)
0.7226 Intermediate Similarity NPD555 Phase 2
0.7209 Intermediate Similarity NPD2668 Approved
0.7209 Intermediate Similarity NPD2667 Approved
0.7194 Intermediate Similarity NPD6867 Clinical (unspecified phase)
0.7194 Intermediate Similarity NPD6866 Clinical (unspecified phase)
0.7185 Intermediate Similarity NPD3136 Phase 2
0.7185 Intermediate Similarity NPD5156 Approved
0.7185 Intermediate Similarity NPD5155 Approved
0.7174 Intermediate Similarity NPD2568 Approved
0.7164 Intermediate Similarity NPD3637 Approved
0.7164 Intermediate Similarity NPD3635 Approved
0.7164 Intermediate Similarity NPD3636 Approved
0.7163 Intermediate Similarity NPD7153 Discontinued
0.7153 Intermediate Similarity NPD826 Approved
0.7153 Intermediate Similarity NPD825 Approved
0.7143 Intermediate Similarity NPD9618 Approved
0.7143 Intermediate Similarity NPD4104 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4103 Phase 2
0.7143 Intermediate Similarity NPD7450 Phase 2
0.7143 Intermediate Similarity NPD9614 Approved
0.7132 Intermediate Similarity NPD5718 Phase 2
0.7113 Intermediate Similarity NPD4162 Approved
0.7111 Intermediate Similarity NPD2606 Approved
0.7111 Intermediate Similarity NPD2605 Approved
0.7111 Intermediate Similarity NPD3594 Approved
0.7111 Intermediate Similarity NPD3595 Approved
0.7109 Intermediate Similarity NPD9616 Approved
0.7109 Intermediate Similarity NPD9613 Approved
0.7109 Intermediate Similarity NPD16 Approved
0.7109 Intermediate Similarity NPD9615 Approved
0.7109 Intermediate Similarity NPD856 Approved
0.7095 Intermediate Similarity NPD4678 Approved
0.7095 Intermediate Similarity NPD4675 Approved
0.709 Intermediate Similarity NPD2195 Approved
0.709 Intermediate Similarity NPD6584 Phase 3
0.709 Intermediate Similarity NPD2194 Approved
0.708 Intermediate Similarity NPD6405 Approved
0.708 Intermediate Similarity NPD6407 Approved
0.708 Intermediate Similarity NPD5729 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD1969 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD1972 Approved
0.7075 Intermediate Similarity NPD1973 Approved
0.7069 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD5283 Phase 1
0.7059 Intermediate Similarity NPD3027 Phase 3
0.7059 Intermediate Similarity NPD2372 Approved
0.7055 Intermediate Similarity NPD5261 Clinical (unspecified phase)
0.7054 Intermediate Similarity NPD316 Approved
0.7045 Intermediate Similarity NPD2232 Approved
0.7045 Intermediate Similarity NPD2233 Approved
0.7045 Intermediate Similarity NPD2230 Approved
0.7027 Intermediate Similarity NPD4005 Discontinued
0.7027 Intermediate Similarity NPD111 Approved
0.7027 Intermediate Similarity NPD3455 Phase 2
0.7021 Intermediate Similarity NPD9570 Approved
0.7014 Intermediate Similarity NPD5241 Discontinued
0.7014 Intermediate Similarity NPD302 Approved
0.7009 Intermediate Similarity NPD844 Approved
0.7007 Intermediate Similarity NPD5110 Phase 2
0.7007 Intermediate Similarity NPD5111 Phase 2
0.7007 Intermediate Similarity NPD5109 Approved
0.7 Intermediate Similarity NPD7945 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD3553 Approved
0.7 Intermediate Similarity NPD3554 Approved
0.7 Intermediate Similarity NPD3555 Approved
0.7 Intermediate Similarity NPD6895 Approved
0.7 Intermediate Similarity NPD6896 Approved
0.7 Intermediate Similarity NPD3552 Approved
0.6986 Remote Similarity NPD4739 Approved
0.6986 Remote Similarity NPD4160 Clinical (unspecified phase)
0.6978 Remote Similarity NPD274 Approved
0.6978 Remote Similarity NPD275 Approved
0.6977 Remote Similarity NPD318 Approved
0.6977 Remote Similarity NPD317 Approved
0.6972 Remote Similarity NPD6809 Clinical (unspecified phase)
0.6957 Remote Similarity NPD839 Approved
0.6957 Remote Similarity NPD840 Approved
0.6954 Remote Similarity NPD2978 Approved
0.6954 Remote Similarity NPD2977 Approved
0.695 Remote Similarity NPD4108 Discontinued
0.6947 Remote Similarity NPD2286 Discontinued
0.6934 Remote Similarity NPD1024 Discontinued
0.6918 Remote Similarity NPD4357 Discontinued
0.6917 Remote Similarity NPD3028 Approved
0.6917 Remote Similarity NPD2235 Phase 2
0.6917 Remote Similarity NPD2231 Phase 2
0.6906 Remote Similarity NPD5837 Clinical (unspecified phase)
0.6899 Remote Similarity NPD7325 Clinical (unspecified phase)
0.6899 Remote Similarity NPD9568 Approved
0.6891 Remote Similarity NPD9273 Approved
0.6875 Remote Similarity NPD5177 Phase 3
0.6875 Remote Similarity NPD4237 Approved
0.6875 Remote Similarity NPD4236 Phase 3
0.6871 Remote Similarity NPD3645 Discontinued
0.6866 Remote Similarity NPD6583 Phase 3
0.6866 Remote Similarity NPD1755 Approved
0.6866 Remote Similarity NPD6582 Phase 2
0.6861 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6853 Remote Similarity NPD1375 Discontinued
0.6842 Remote Similarity NPD5773 Approved
0.6842 Remote Similarity NPD5772 Approved
0.6835 Remote Similarity NPD7477 Discontinued
0.6828 Remote Similarity NPD7066 Clinical (unspecified phase)
0.6828 Remote Similarity NPD3400 Discontinued
0.6824 Remote Similarity NPD7527 Clinical (unspecified phase)
0.6824 Remote Similarity NPD7526 Approved
0.6824 Remote Similarity NPD52 Approved

Structure

External Identifiers

PubChem CID   9994897
ChEMBL   CHEMBL206646
ZINC  

Physicochemical Properties

Molecular Weight:  299.12
ALogP:  -1.0584
MLogP:  2.78
XLogP:  3.019
# Rotatable Bonds:  9
Polar Surface Area:  93.28
# H-Bond Aceptor:  2
# H-Bond Donor:  4
# Rings:  2
# Heavy Atoms:  22

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Biological Activities  
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