Natural Product: NPC100340

Natural Product ID:  NPC100340
Common Name:   Dihydropinosylvin
IUPAC Name:   5-(2-phenylethyl)benzene-1,3-diol
Synonyms:   3,5-Dihydroxybibenzyl; Dihydropinosylvin
Molecular Formula:   C14H14O2
Standard InCHIKey:  LDBYHULIXFIJAZ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C14H14O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-5,8-10,15-16H,6-7H2
Canonical SMILES:  Oc1cc(CCc2ccccc2)cc(c1)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
NPO5635 Bauhinia purpurea Species Fabaceae Eukaryota roots Phitsanulok Province, Thailand 2004-MAY PMID[17480099]
NPO6054 Sinularia brongersmai Species Alcyoniidae Eukaryota UNPD*
NPO17593 Pinus sylvestris Species Pinaceae Eukaryota PMID[1536925]
NPO4628 Aloe deltoideodonta Species Asphodelaceae Eukaryota UNPD*
NPO11181 Juniperus bermudiana Species Cupressaceae Eukaryota UNPD*
NPO19620 Stemona tuberosa Species Stemonaceae Eukaryota PMID[15679323]
NPO13147 Euphorbia cyparissias Species Euphorbiaceae Eukaryota UNPD*
NPO9608 Lepraria citrina Species Stereocaulaceae Eukaryota UNPD*
NPO28574 Oroxylum indicum Species Bignoniaceae Eukaryota Seeds PMID[23672042]
NPO30254 Stemona collinsae Species Stemonaceae Eukaryota PMID[15679323]
NPO26245 Styracaster caroli Species Porcellanasteridae Eukaryota UNPD*
NPO1490 Goldfussia yunnanensis NA NA NA UNPD*
NPO30479 Dioscorea batatas Species Dioscoreaceae Eukaryota TCM_Taiwan*
NPO9881 Petrosia hebes Species Petrosiidae Eukaryota UNPD*
NPO30479 Dioscorea batatas Species Dioscoreaceae Eukaryota HerDing*
NPO31087 Pinus sp Species Pinaceae Eukaryota HerDing*
NPO7863 Dioscorea opposita Species Dioscoreaceae Eukaryota TCM_Taiwan*
NPO809 Leitneria floridana Species Simaroubaceae Eukaryota UNPD*
NPO27517 Crinum latifolium Species Amaryllidaceae Eukaryota UNPD*
NPO5635 Bauhinia purpurea Species Fabaceae Eukaryota UNPD*
NPO6828 Purpura aperta Species Muricidae Eukaryota UNPD*
NPO8559 Calophyllum venulosum Species Calophyllaceae Eukaryota UNPD*
NPO8807 Laurentia longiflora NA NA NA UNPD*
NPO2455 Thermopsis mollis Species Fabaceae Eukaryota UNPD*
NPO8460 Pedicularis torta Species Orobanchaceae Eukaryota UNPD*
NPO4382 Elmerrillia papuana NA NA NA UNPD*
NPO24359 Streptomyces cacaoi Species Streptomycetaceae Bacteria UNPD*
NPO30254 Stemona collinsae Species Stemonaceae Eukaryota slowly dried tubers Bangkok, Thailand PMID[15679323]
NPO9419 Enterobacter cloacae Species Enterobacteriaceae Bacteria UNPD*
NPO1103 Dioscorea japonica Species Dioscoreaceae Eukaryota Rhizomes PMID[21353549]
NPO20097 Thermobifida alba Species Nocardiopsaceae Bacteria UNPD*
NPO28574 Oroxylum indicum Species Bignoniaceae Eukaryota TM-MC*
NPO6962 Cetraria delisei Species Parmeliaceae Eukaryota UNPD*
NPO12624 Pinus sp. Species Pinaceae Eukaryota TCMID*
NPO11319 Laurencia hybrida Species Rhodomelaceae Eukaryota UNPD*
NPO24833 Dioscorea polystachya Species Dioscoreaceae Eukaryota TCMID*
NPO8977 Notholaena aschenborniana Species Pteridaceae Eukaryota UNPD*
NPO12104 Stemona cf. pierrei Species Stemonaceae Eukaryota TCMID*
NPO19605 Tara spinosa Species Fabaceae Eukaryota UNPD*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TCMID*
NPO25475 Syphonota geographica Species Aplysiidae Eukaryota UNPD*
NPO10024 Tylecodon wallichii Species Crassulaceae Eukaryota UNPD*
NPO3357 Alnus cordata Species Betulaceae Eukaryota UNPD*
NPO12104 Stemona cf. pierrei Species Stemonaceae Eukaryota HerDing*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota HerDing*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens IC50 > 46700 nM 17480099
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC = 116800 nM 17480099
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 > 93400 nM 17480099
NPT20 Organism Candida albicans Candida albicans IC50 > 233600 nM 17480099
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 > 46700 nM 17480099
NPT91 Cell Line KB Homo sapiens IC50 > 93400 nM 17480099
NPT2 Others Unspecified IC50 = 36600 nM 14987052
NPT548 Tissue Ileum Cavia porcellus IC50 = 1490 nM 14987052
NPT548 Tissue Ileum Cavia porcellus Ratio IC50 = 2.84 14987052
NPT2 Others Unspecified IC50 > 50000 nM 15679323
NPT2 Others Unspecified Inhibition = 10 % 15679323
NPT76 Cell Line C6 Rattus norvegicus Activity = 117 % 21353549
NPT76 Cell Line C6 Rattus norvegicus Activity = 104.9 % 21353549

  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 NPC100340 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 NPC143659
0.9792 High Similarity NPC102216
0.9792 High Similarity NPC30506
0.9792 High Similarity NPC241891
0.9691 High Similarity NPC134829
0.9681 High Similarity NPC291789
0.9592 High Similarity NPC118286
0.9592 High Similarity NPC109691
0.9592 High Similarity NPC470700
0.9592 High Similarity NPC302681
0.9592 High Similarity NPC39097
0.9592 High Similarity NPC39664
0.9495 High Similarity NPC54844
0.949 High Similarity NPC246056
0.9479 High Similarity NPC248573
0.9479 High Similarity NPC10588
0.9479 High Similarity NPC161571
0.9479 High Similarity NPC275053
0.94 High Similarity NPC174981
0.9381 High Similarity NPC72947
0.9381 High Similarity NPC284011
0.9307 High Similarity NPC19808
0.9307 High Similarity NPC33728
0.9293 High Similarity NPC292452
0.9286 High Similarity NPC53051
0.9286 High Similarity NPC106396
0.9286 High Similarity NPC71002
0.9286 High Similarity NPC313030
0.9286 High Similarity NPC85479
0.9286 High Similarity NPC302219
0.9286 High Similarity NPC222522
0.9286 High Similarity NPC24404
0.9286 High Similarity NPC94351
0.9286 High Similarity NPC242342
0.9286 High Similarity NPC146798
0.9286 High Similarity NPC249828
0.9286 High Similarity NPC168303
0.9278 High Similarity NPC166761
0.92 High Similarity NPC248904
0.9192 High Similarity NPC119860
0.9184 High Similarity NPC11280
0.9184 High Similarity NPC294186
0.9184 High Similarity NPC24407
0.9184 High Similarity NPC147310
0.9184 High Similarity NPC166313
0.9184 High Similarity NPC192032
0.9184 High Similarity NPC137415
0.9126 High Similarity NPC4493
0.9126 High Similarity NPC165770
0.9126 High Similarity NPC476632
0.9126 High Similarity NPC225679
0.9126 High Similarity NPC224527
0.9126 High Similarity NPC268032
0.9118 High Similarity NPC202647
0.91 High Similarity NPC474839
0.9062 High Similarity NPC274678
0.9053 High Similarity NPC295295
0.9038 High Similarity NPC43525
0.9038 High Similarity NPC166995
0.9 High Similarity NPC218879
0.9 High Similarity NPC244513
0.9 High Similarity NPC227458
0.8958 High Similarity NPC76938
0.8952 High Similarity NPC261343
0.8952 High Similarity NPC117846
0.8922 High Similarity NPC204901
0.8922 High Similarity NPC158253
0.8922 High Similarity NPC176527
0.8922 High Similarity NPC61033
0.8922 High Similarity NPC232523
0.8922 High Similarity NPC305603
0.8911 High Similarity NPC37802
0.89 High Similarity NPC168393
0.8868 High Similarity NPC107240
0.8868 High Similarity NPC276737
0.8868 High Similarity NPC22610
0.8866 High Similarity NPC32714
0.8835 High Similarity NPC63698
0.8835 High Similarity NPC105727
0.8835 High Similarity NPC34864
0.8835 High Similarity NPC61885
0.8835 High Similarity NPC58427
0.8835 High Similarity NPC114392
0.8824 High Similarity NPC12640
0.8824 High Similarity NPC201662
0.8824 High Similarity NPC99836
0.8788 High Similarity NPC80027
0.8785 High Similarity NPC53906
0.8785 High Similarity NPC808
0.8785 High Similarity NPC84999
0.8785 High Similarity NPC167934
0.8785 High Similarity NPC246760
0.8774 High Similarity NPC23804
0.875 High Similarity NPC299568
0.875 High Similarity NPC186385
0.875 High Similarity NPC45040
0.8704 High Similarity NPC150624
0.8704 High Similarity NPC141090
0.87 High Similarity NPC294741
0.8667 High Similarity NPC475018
0.8667 High Similarity NPC94045
0.8646 High Similarity NPC192
0.8641 High Similarity NPC67250
0.8632 High Similarity NPC27974
0.8624 High Similarity NPC50521
0.8624 High Similarity NPC470760
0.8624 High Similarity NPC221549
0.8624 High Similarity NPC15860
0.8624 High Similarity NPC127894
0.8624 High Similarity NPC33270
0.8624 High Similarity NPC195466
0.8624 High Similarity NPC219070
0.8624 High Similarity NPC69261
0.8624 High Similarity NPC470759
0.8624 High Similarity NPC474933
0.8624 High Similarity NPC244816
0.8614 High Similarity NPC12221
0.8611 High Similarity NPC472893
0.8585 High Similarity NPC296920
0.8585 High Similarity NPC90520
0.8571 High Similarity NPC151715
0.8571 High Similarity NPC128062
0.8545 High Similarity NPC144343
0.8545 High Similarity NPC190514
0.8532 High Similarity NPC114064
0.8532 High Similarity NPC115808
0.8519 High Similarity NPC249270
0.8505 High Similarity NPC280606
0.85 High Similarity NPC156313
0.85 High Similarity NPC32674
0.8491 Intermediate Similarity NPC242178
0.8491 Intermediate Similarity NPC224870
0.8491 Intermediate Similarity NPC168657
0.8485 Intermediate Similarity NPC26244
0.8476 Intermediate Similarity NPC95344
0.8469 Intermediate Similarity NPC3358
0.8469 Intermediate Similarity NPC94139
0.8469 Intermediate Similarity NPC210497
0.8469 Intermediate Similarity NPC147284
0.8469 Intermediate Similarity NPC55903
0.8469 Intermediate Similarity NPC162314
0.8469 Intermediate Similarity NPC271440
0.8469 Intermediate Similarity NPC306884
0.8468 Intermediate Similarity NPC184302
0.8455 Intermediate Similarity NPC277588
0.8447 Intermediate Similarity NPC323810
0.8447 Intermediate Similarity NPC471511
0.8426 Intermediate Similarity NPC319803
0.8416 Intermediate Similarity NPC92730
0.8411 Intermediate Similarity NPC255068
0.84 Intermediate Similarity NPC132271
0.84 Intermediate Similarity NPC292730
0.84 Intermediate Similarity NPC473388
0.84 Intermediate Similarity NPC216520
0.84 Intermediate Similarity NPC82664
0.8393 Intermediate Similarity NPC472071
0.8393 Intermediate Similarity NPC69006
0.8393 Intermediate Similarity NPC223451
0.8378 Intermediate Similarity NPC9592
0.8378 Intermediate Similarity NPC48781
0.8365 Intermediate Similarity NPC239291
0.8365 Intermediate Similarity NPC471350
0.8364 Intermediate Similarity NPC203113
0.835 Intermediate Similarity NPC233827
0.8349 Intermediate Similarity NPC180508
0.8349 Intermediate Similarity NPC228287
0.8333 Intermediate Similarity NPC213730
0.8333 Intermediate Similarity NPC130103
0.8333 Intermediate Similarity NPC473521
0.8319 Intermediate Similarity NPC24125
0.8319 Intermediate Similarity NPC248363
0.8318 Intermediate Similarity NPC2682
0.8318 Intermediate Similarity NPC303521
0.8317 Intermediate Similarity NPC474073
0.8317 Intermediate Similarity NPC225464
0.8316 Intermediate Similarity NPC150837
0.8304 Intermediate Similarity NPC191866
0.8304 Intermediate Similarity NPC217174
0.8286 Intermediate Similarity NPC164576
0.8286 Intermediate Similarity NPC54765
0.8273 Intermediate Similarity NPC232165
0.8269 Intermediate Similarity NPC254965
0.8269 Intermediate Similarity NPC327811
0.8265 Intermediate Similarity NPC312304
0.8257 Intermediate Similarity NPC162113
0.8257 Intermediate Similarity NPC62546
0.8257 Intermediate Similarity NPC263753
0.8252 Intermediate Similarity NPC40258
0.8252 Intermediate Similarity NPC7686
0.8252 Intermediate Similarity NPC91461
0.8247 Intermediate Similarity NPC19680
0.8246 Intermediate Similarity NPC476633
0.8246 Intermediate Similarity NPC237667
0.8235 Intermediate Similarity NPC78119
0.8235 Intermediate Similarity NPC51333
0.8235 Intermediate Similarity NPC132078
0.8235 Intermediate Similarity NPC216468
0.8229 Intermediate Similarity NPC155393
0.8218 Intermediate Similarity NPC312132
0.8218 Intermediate Similarity NPC259512

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC100340 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
0.9479 High Similarity NPD1242 Phase 1
0.88 High Similarity NPD846 Approved
0.88 High Similarity NPD940 Approved
0.875 High Similarity NPD4750 Phase 3
0.8485 Intermediate Similarity NPD2860 Approved
0.8485 Intermediate Similarity NPD2859 Approved
0.8416 Intermediate Similarity NPD3020 Approved
0.8384 Intermediate Similarity NPD2934 Approved
0.8384 Intermediate Similarity NPD2933 Approved
0.83 Intermediate Similarity NPD844 Approved
0.8218 Intermediate Similarity NPD288 Approved
0.8155 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.8085 Intermediate Similarity NPD9089 Approved
0.8056 Intermediate Similarity NPD3021 Approved
0.8056 Intermediate Similarity NPD3022 Approved
0.802 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7979 Intermediate Similarity NPD9093 Approved
0.7931 Intermediate Similarity NPD1610 Phase 2
0.7895 Intermediate Similarity NPD1548 Phase 1
0.787 Intermediate Similarity NPD2342 Discontinued
0.7835 Intermediate Similarity NPD111 Approved
0.7769 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7745 Intermediate Similarity NPD845 Approved
0.7727 Intermediate Similarity NPD1792 Phase 2
0.7705 Intermediate Similarity NPD3027 Phase 3
0.7705 Intermediate Similarity NPD4625 Phase 3
0.7686 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7679 Intermediate Similarity NPD7635 Approved
0.7647 Intermediate Similarity NPD4749 Approved
0.7615 Intermediate Similarity NPD1444 Approved
0.7615 Intermediate Similarity NPD1445 Approved
0.76 Intermediate Similarity NPD9094 Approved
0.7544 Intermediate Similarity NPD1476 Clinical (unspecified phase)
0.752 Intermediate Similarity NPD1613 Approved
0.752 Intermediate Similarity NPD943 Approved
0.752 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.748 Intermediate Similarity NPD4908 Phase 1
0.7479 Intermediate Similarity NPD1201 Approved
0.7455 Intermediate Similarity NPD968 Approved
0.7453 Intermediate Similarity NPD9273 Approved
0.7429 Intermediate Similarity NPD1809 Phase 2
0.736 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7339 Intermediate Similarity NPD9500 Approved
0.7333 Intermediate Similarity NPD422 Phase 1
0.7328 Intermediate Similarity NPD6671 Approved
0.7317 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7315 Intermediate Similarity NPD3028 Approved
0.7311 Intermediate Similarity NPD2286 Discontinued
0.7304 Intermediate Similarity NPD2228 Approved
0.7304 Intermediate Similarity NPD2234 Approved
0.7304 Intermediate Similarity NPD2229 Approved
0.7288 Intermediate Similarity NPD3091 Approved
0.7281 Intermediate Similarity NPD228 Approved
0.7266 Intermediate Similarity NPD2568 Approved
0.7257 Intermediate Similarity NPD9380 Clinical (unspecified phase)
0.7236 Intermediate Similarity NPD4339 Clinical (unspecified phase)
0.7236 Intermediate Similarity NPD1470 Approved
0.7234 Intermediate Similarity NPD9087 Approved
0.7227 Intermediate Similarity NPD4093 Discontinued
0.7222 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7217 Intermediate Similarity NPD9379 Approved
0.7217 Intermediate Similarity NPD9377 Approved
0.7193 Intermediate Similarity NPD9280 Clinical (unspecified phase)
0.719 Intermediate Similarity NPD3092 Approved
0.7177 Intermediate Similarity NPD602 Approved
0.7177 Intermediate Similarity NPD858 Approved
0.7177 Intermediate Similarity NPD599 Approved
0.7177 Intermediate Similarity NPD859 Approved
0.7167 Intermediate Similarity NPD5238 Clinical (unspecified phase)
0.7167 Intermediate Similarity NPD3019 Approved
0.7167 Intermediate Similarity NPD2932 Approved
0.7167 Intermediate Similarity NPD4059 Approved
0.7154 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7131 Intermediate Similarity NPD1608 Approved
0.712 Intermediate Similarity NPD2861 Phase 2
0.7117 Intermediate Similarity NPD9610 Approved
0.7117 Intermediate Similarity NPD9608 Approved
0.7113 Intermediate Similarity NPD9088 Approved
0.7109 Intermediate Similarity NPD1240 Approved
0.7097 Intermediate Similarity NPD3094 Phase 2
0.7094 Intermediate Similarity NPD497 Approved
0.7094 Intermediate Similarity NPD9618 Approved
0.7094 Intermediate Similarity NPD9614 Approved
0.7094 Intermediate Similarity NPD1791 Approved
0.7094 Intermediate Similarity NPD1793 Approved
0.7073 Intermediate Similarity NPD2983 Phase 2
0.7073 Intermediate Similarity NPD2982 Phase 2
0.7073 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7049 Intermediate Similarity NPD5351 Clinical (unspecified phase)
0.7049 Intermediate Similarity NPD5350 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD709 Approved
0.7025 Intermediate Similarity NPD9381 Approved
0.7025 Intermediate Similarity NPD9384 Approved
0.7025 Intermediate Similarity NPD1751 Approved
0.7023 Intermediate Similarity NPD1510 Phase 2
0.701 Intermediate Similarity NPD9294 Approved
0.7009 Intermediate Similarity NPD496 Approved
0.7009 Intermediate Similarity NPD495 Approved
0.7009 Intermediate Similarity NPD5283 Phase 1
0.7009 Intermediate Similarity NPD498 Approved
0.7 Intermediate Similarity NPD2226 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD1607 Approved
0.6992 Remote Similarity NPD9269 Phase 2
0.6992 Remote Similarity NPD2981 Phase 2
0.6984 Remote Similarity NPD3018 Phase 2
0.6977 Remote Similarity NPD1555 Discontinued
0.6975 Remote Similarity NPD405 Clinical (unspecified phase)
0.697 Remote Similarity NPD6100 Approved
0.697 Remote Similarity NPD6099 Approved
0.696 Remote Similarity NPD1164 Approved
0.6942 Remote Similarity NPD9268 Approved
0.6935 Remote Similarity NPD4659 Approved
0.693 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6917 Remote Similarity NPD9613 Approved
0.6917 Remote Similarity NPD9616 Approved
0.6917 Remote Similarity NPD9615 Approved
0.6905 Remote Similarity NPD6584 Phase 3
0.6899 Remote Similarity NPD6407 Approved
0.6899 Remote Similarity NPD6405 Approved
0.6885 Remote Similarity NPD17 Approved
0.6885 Remote Similarity NPD3095 Discontinued
0.6885 Remote Similarity NPD4589 Approved
0.688 Remote Similarity NPD5311 Approved
0.688 Remote Similarity NPD5310 Approved
0.687 Remote Similarity NPD74 Approved
0.687 Remote Similarity NPD9266 Approved
0.686 Remote Similarity NPD5304 Approved
0.686 Remote Similarity NPD316 Approved
0.686 Remote Similarity NPD5303 Approved
0.6855 Remote Similarity NPD2562 Approved
0.6855 Remote Similarity NPD2561 Approved
0.6855 Remote Similarity NPD2233 Approved
0.6855 Remote Similarity NPD2232 Approved
0.6855 Remote Similarity NPD2230 Approved
0.6847 Remote Similarity NPD1616 Discontinued
0.6846 Remote Similarity NPD2238 Phase 2
0.6833 Remote Similarity NPD7325 Clinical (unspecified phase)
0.6829 Remote Similarity NPD1981 Approved
0.6829 Remote Similarity NPD1983 Approved
0.6829 Remote Similarity NPD1980 Approved
0.6825 Remote Similarity NPD3055 Approved
0.6825 Remote Similarity NPD4103 Phase 2
0.6825 Remote Similarity NPD4104 Clinical (unspecified phase)
0.6825 Remote Similarity NPD3053 Approved
0.6822 Remote Similarity NPD6859 Clinical (unspecified phase)
0.681 Remote Similarity NPD5451 Approved
0.68 Remote Similarity NPD9622 Approved
0.68 Remote Similarity NPD1755 Approved
0.6791 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6791 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6783 Remote Similarity NPD9267 Approved
0.6783 Remote Similarity NPD9264 Approved
0.6783 Remote Similarity NPD9263 Approved
0.6783 Remote Similarity NPD290 Approved
0.6777 Remote Similarity NPD318 Approved
0.6777 Remote Similarity NPD16 Approved
0.6777 Remote Similarity NPD317 Approved
0.6777 Remote Similarity NPD856 Approved
0.6767 Remote Similarity NPD651 Clinical (unspecified phase)
0.6765 Remote Similarity NPD3750 Approved
0.6765 Remote Similarity NPD3892 Phase 2
0.675 Remote Similarity NPD255 Approved
0.675 Remote Similarity NPD256 Approved
0.6746 Remote Similarity NPD1283 Approved
0.6741 Remote Similarity NPD1549 Phase 2
0.6739 Remote Similarity NPD1511 Approved
0.6739 Remote Similarity NPD7390 Discontinued
0.6726 Remote Similarity NPD5700 Clinical (unspecified phase)
0.6724 Remote Similarity NPD2684 Approved
0.6721 Remote Similarity NPD7330 Discontinued
0.6721 Remote Similarity NPD1759 Phase 1
0.672 Remote Similarity NPD2235 Phase 2
0.672 Remote Similarity NPD2337 Clinical (unspecified phase)
0.672 Remote Similarity NPD2231 Phase 2
0.6719 Remote Similarity NPD5736 Approved
0.6718 Remote Similarity NPD3059 Approved
0.6718 Remote Similarity NPD3062 Approved
0.6718 Remote Similarity NPD3061 Approved
0.6718 Remote Similarity NPD1558 Phase 1
0.6716 Remote Similarity NPD5406 Approved
0.6716 Remote Similarity NPD5408 Approved
0.6716 Remote Similarity NPD5404 Approved
0.6716 Remote Similarity NPD5405 Approved
0.6716 Remote Similarity NPD1551 Phase 2
0.6695 Remote Similarity NPD6124 Clinical (unspecified phase)
0.6694 Remote Similarity NPD9493 Approved
0.6693 Remote Similarity NPD1133 Approved
0.6693 Remote Similarity NPD1134 Approved
0.6693 Remote Similarity NPD1135 Approved
0.6693 Remote Similarity NPD1131 Approved
0.6693 Remote Similarity NPD1129 Approved
0.6693 Remote Similarity NPD2797 Approved
0.6692 Remote Similarity NPD3764 Approved
0.6692 Remote Similarity NPD2028 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1669 Approved
0.6667 Remote Similarity NPD475 Phase 2
0.6667 Remote Similarity NPD1651 Approved
0.6667 Remote Similarity NPD230 Phase 1
0.6667 Remote Similarity NPD6582 Phase 2
0.6667 Remote Similarity NPD1237 Approved

Structure

External Identifiers

PubChem CID   442700
ChEMBL   CHEMBL228120
ZINC  

Physicochemical Properties

Molecular Weight:  214.10
ALogP:  -0.7958
MLogP:  2.78
XLogP:  5.238
# Rotatable Bonds:  5
Polar Surface Area:  40.46
# H-Bond Aceptor:  0
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  16

Download Data

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Biological Activities  
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