Natural Product: NPC295295

Natural Product ID:  NPC295295
Common Name:   Orcinol
IUPAC Name:   5-methylbenzene-1,3-diol
Synonyms:   5-Methyl Resorcinol; 5-Methylresorcinol; Orcinol; Oricinol
Molecular Formula:   C7H8O2
Standard InCHIKey:  OIPPWFOQEKKFEE-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3
Canonical SMILES:  Cc1cc(O)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
NPO29719 Ginkgo biloba Species Ginkgoaceae Eukaryota fresh sarcotestas Kwanak Campus of Seoul National University, Seoul, Korea 1996-SEP PMID[9677265]
NPO5786 Desmodium oxyphyllum Species Fabaceae Eukaryota UNPD*
NPO1919 Erica arborea Species Ericaceae Eukaryota UNPD*
NPO2777 Cirsium brevistylum Species Asteraceae Eukaryota UNPD*
NPO17423 Solanum coccineum Species Solanaceae Eukaryota UNPD*
NPO13015 Pilosella officinarum Species Asteraceae Eukaryota UNPD*
NPO996 Acacia confusa Species Fabaceae Eukaryota UNPD*
NPO6619 Phoebe clemensii Species Lauraceae Eukaryota UNPD*
NPO66 Siphula decumbens Species Icmadophilaceae Eukaryota UNPD*
NPO2851 Acanthella acuta Species Axinellidae Eukaryota UNPD*
NPO18807 Coffea pseudozanguebariae Species Rubiaceae Eukaryota UNPD*
NPO20304 Astragalus pectinatus Species Fabaceae Eukaryota UNPD*
NPO3729 Cetraria islandica Species Parmeliaceae Eukaryota UNPD*
NPO25424 Putterlickia verrucosa Species Celastraceae Eukaryota UNPD*
NPO29641 Rhododendri daurici folium NA NA NA TCMSP*
NPO8381 Curculiginis rhizome NA NA NA TCMSP*
NPO19963 Curculigo orchioides Species Hypoxidaceae Eukaryota TM-MC*
NPO5664 Davallia mariesii Species Davalliaceae Eukaryota UNPD*
NPO21072 Rhododendron dauricum Species Ericaceae Eukaryota TCMID*
NPO20689 Roystonea regia Species Arecaceae Eukaryota UNPD*
NPO6118 Erica umbellata Species Ericaceae Eukaryota TCMID*
NPO2602 Usnea longissima Species Parmeliaceae Eukaryota TCMID*
NPO18110 Lilium maximowiczii Species Liliaceae Eukaryota diseased bulbs PMID[9677274]
NPO17774 Hemerocallis fulva Species Xanthorrhoeaceae Eukaryota TCMID*
NPO32513 Penicillium citrinum Under-species NA NA PMID[18281952]
NPO2131 Dactylorhiza viridis Species Orchidaceae Eukaryota TCMID*
NPO33336 Penicillium sp. HN29-3B1 Species Aspergillaceae Eukaryota PMID[26230970]
NPO13107 Rumex patientia Species Polygonaceae Eukaryota TCMID*
NPO21072 Rhododendron dauricum Species Ericaceae Eukaryota PMID[15270561]
NPO1919 Erica arborea Species Ericaceae Eukaryota TCMID*
NPO4633 Calypogeia integristipula Species Calypogeiaceae Eukaryota UNPD*
NPO8365 Gymnadenia albida Species Orchidaceae Eukaryota TCMID*
NPO4725 Isodon lihsienensis Species Lamiaceae Eukaryota UNPD*
NPO21293 Parmelia tinctorum Species Parmeliaceae Eukaryota TCMID*
NPO2258 Johnius belangerii Species Sciaenidae Eukaryota UNPD*
NPO19943 Fleischmannia hymenophylla Species Asteraceae Eukaryota UNPD*
NPO13107 Rumex patientia Species Polygonaceae Eukaryota TCM_Taiwan*
NPO27 Gentiana dahurica Species Gentianaceae Eukaryota UNPD*
NPO1919 Erica arborea Species Ericaceae Eukaryota TCM_Taiwan*
NPO6513 Vernonia condensata Species Asteraceae Eukaryota UNPD*
NPO21072 Rhododendron dauricum Species Ericaceae Eukaryota TCM_Taiwan*
NPO21293 Parmelia tinctorum Species Parmeliaceae Eukaryota TCM_Taiwan*
NPO31451 Aspergillus sydowii Species Aspergillaceae Eukaryota PMID[21718031]
NPO6118 Erica umbellata Species Ericaceae Eukaryota TCM_Taiwan*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT79 Organism Bacillus subtilis Bacillus subtilis IC50 = 16800000 nM 6802973
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis EC50 = 4030 nM 17035037
NPT16 Organism Staphylococcus aureus Staphylococcus aureus EC50 = 4030 nM 17035037
NPT965 Organism Amaranthus hypochondriacus Amaranthus hypochondriacus IC50 = 1000000 nM 11076561
NPT117 Organism Echinochloa crus-galli Echinochloa crus-galli IC50 = 1100000 nM 11076561
NPT965 Organism Amaranthus hypochondriacus Amaranthus hypochondriacus IC50 = 1700000 nM 11076561
NPT117 Organism Echinochloa crus-galli Echinochloa crus-galli IC50 > 8100000 nM 11076561
NPT1 Others Radical scavenging activity IC50 = 800 nM 18281952
NPT657 Individual Protein 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase gamma-1 Bos taurus IC50 > 250 ug/ml 9677265
NPT5063 Organism Bipolaris leersiae Bipolaris leersiae Inhibition = 30 % 9677274
NPT5063 Organism Bipolaris leersiae Bipolaris leersiae Inhibition = 80 % 9677274
NPT741 Individual Protein Tyrosinase Homo sapiens Activity = 31 % 23352755
NPT741 Individual Protein Tyrosinase Homo sapiens Activity = 28 % 23352755
NPT741 Individual Protein Tyrosinase Homo sapiens Activity = 46 % 23352755
NPT741 Individual Protein Tyrosinase Homo sapiens Activity = 63 % 23352755
NPT60 Individual Protein Lysosomal alpha-glucosidase Homo sapiens IC50 > 100000 nM 26230970

  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 NPC295295 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
0.9355 High Similarity NPC166761
0.9348 High Similarity NPC291789
0.9255 High Similarity NPC147310
0.9255 High Similarity NPC137415
0.9255 High Similarity NPC294186
0.9255 High Similarity NPC24407
0.9255 High Similarity NPC192032
0.9255 High Similarity NPC166313
0.9255 High Similarity NPC11280
0.9158 High Similarity NPC302219
0.9158 High Similarity NPC168303
0.9158 High Similarity NPC71002
0.9158 High Similarity NPC249828
0.9158 High Similarity NPC94351
0.9158 High Similarity NPC146798
0.9158 High Similarity NPC85479
0.9158 High Similarity NPC53051
0.9158 High Similarity NPC106396
0.9158 High Similarity NPC222522
0.9158 High Similarity NPC242342
0.9158 High Similarity NPC313030
0.9158 High Similarity NPC24404
0.9149 High Similarity NPC10588
0.9149 High Similarity NPC248573
0.9149 High Similarity NPC275053
0.9149 High Similarity NPC161571
0.9062 High Similarity NPC227458
0.9062 High Similarity NPC244513
0.9062 High Similarity NPC218879
0.9053 High Similarity NPC100340
0.9053 High Similarity NPC143659
0.9053 High Similarity NPC284011
0.9053 High Similarity NPC72947
0.8977 High Similarity NPC150837
0.8969 High Similarity NPC37802
0.8878 High Similarity NPC164576
0.8878 High Similarity NPC99836
0.8878 High Similarity NPC12640
0.8878 High Similarity NPC201662
0.8866 High Similarity NPC102216
0.8866 High Similarity NPC241891
0.8866 High Similarity NPC30506
0.8842 High Similarity NPC80027
0.8788 High Similarity NPC232523
0.8788 High Similarity NPC204901
0.8788 High Similarity NPC305603
0.8788 High Similarity NPC61033
0.8788 High Similarity NPC158253
0.8776 High Similarity NPC246056
0.8776 High Similarity NPC134829
0.8776 High Similarity NPC292452
0.87 High Similarity NPC174981
0.8687 High Similarity NPC39097
0.8687 High Similarity NPC39664
0.8687 High Similarity NPC109691
0.8687 High Similarity NPC470700
0.8687 High Similarity NPC302681
0.8687 High Similarity NPC118286
0.8681 High Similarity NPC27974
0.8681 High Similarity NPC19680
0.8621 High Similarity NPC4154
0.8614 High Similarity NPC33728
0.8614 High Similarity NPC299568
0.8614 High Similarity NPC186385
0.8614 High Similarity NPC19808
0.86 High Similarity NPC54844
0.86 High Similarity NPC176527
0.8529 High Similarity NPC94045
0.8529 High Similarity NPC242178
0.8529 High Similarity NPC168657
0.8529 High Similarity NPC224870
0.8523 High Similarity NPC270094
0.8515 High Similarity NPC187958
0.8515 High Similarity NPC58427
0.8515 High Similarity NPC34864
0.8515 High Similarity NPC105727
0.8515 High Similarity NPC114392
0.8511 High Similarity NPC29373
0.8495 Intermediate Similarity NPC312304
0.8447 Intermediate Similarity NPC296920
0.8447 Intermediate Similarity NPC165770
0.8447 Intermediate Similarity NPC4493
0.8447 Intermediate Similarity NPC225679
0.8447 Intermediate Similarity NPC224527
0.8447 Intermediate Similarity NPC476632
0.8447 Intermediate Similarity NPC90520
0.8447 Intermediate Similarity NPC255068
0.8444 Intermediate Similarity NPC124436
0.8431 Intermediate Similarity NPC202647
0.8404 Intermediate Similarity NPC231150
0.84 Intermediate Similarity NPC471350
0.8365 Intermediate Similarity NPC166995
0.8365 Intermediate Similarity NPC473521
0.8365 Intermediate Similarity NPC43525
0.8365 Intermediate Similarity NPC280606
0.8352 Intermediate Similarity NPC286904
0.8352 Intermediate Similarity NPC248817
0.8351 Intermediate Similarity NPC88420
0.835 Intermediate Similarity NPC43411
0.8333 Intermediate Similarity NPC107522
0.8317 Intermediate Similarity NPC248904
0.8316 Intermediate Similarity NPC306884
0.8316 Intermediate Similarity NPC94139
0.8316 Intermediate Similarity NPC147284
0.8316 Intermediate Similarity NPC55903
0.8316 Intermediate Similarity NPC162314
0.8316 Intermediate Similarity NPC3358
0.8316 Intermediate Similarity NPC210497
0.83 Intermediate Similarity NPC119860
0.8298 Intermediate Similarity NPC47950
0.8298 Intermediate Similarity NPC192
0.8298 Intermediate Similarity NPC300478
0.8286 Intermediate Similarity NPC319803
0.8286 Intermediate Similarity NPC117846
0.8286 Intermediate Similarity NPC23804
0.8286 Intermediate Similarity NPC263753
0.8286 Intermediate Similarity NPC62546
0.8286 Intermediate Similarity NPC162113
0.8269 Intermediate Similarity NPC268032
0.8261 Intermediate Similarity NPC197783
0.8242 Intermediate Similarity NPC265146
0.8229 Intermediate Similarity NPC245187
0.8218 Intermediate Similarity NPC474839
0.8208 Intermediate Similarity NPC107240
0.8208 Intermediate Similarity NPC180508
0.8208 Intermediate Similarity NPC228287
0.8208 Intermediate Similarity NPC22610
0.8208 Intermediate Similarity NPC276737
0.82 Intermediate Similarity NPC168393
0.82 Intermediate Similarity NPC315022
0.8182 Intermediate Similarity NPC130103
0.8172 Intermediate Similarity NPC23167
0.8172 Intermediate Similarity NPC407
0.8172 Intermediate Similarity NPC307235
0.8172 Intermediate Similarity NPC184169
0.8163 Intermediate Similarity NPC474073
0.8163 Intermediate Similarity NPC152097
0.8163 Intermediate Similarity NPC475078
0.8155 Intermediate Similarity NPC61885
0.8155 Intermediate Similarity NPC63698
0.8152 Intermediate Similarity NPC175313
0.8144 Intermediate Similarity NPC222146
0.8144 Intermediate Similarity NPC257182
0.8144 Intermediate Similarity NPC313650
0.8144 Intermediate Similarity NPC274678
0.8131 Intermediate Similarity NPC246760
0.8131 Intermediate Similarity NPC84999
0.8131 Intermediate Similarity NPC472893
0.8131 Intermediate Similarity NPC167934
0.8131 Intermediate Similarity NPC53906
0.8131 Intermediate Similarity NPC808
0.8119 Intermediate Similarity NPC130817
0.8119 Intermediate Similarity NPC315936
0.8113 Intermediate Similarity NPC261343
0.8085 Intermediate Similarity NPC104216
0.8085 Intermediate Similarity NPC25493
0.8085 Intermediate Similarity NPC113460
0.8081 Intermediate Similarity NPC260775
0.8065 Intermediate Similarity NPC155393
0.8061 Intermediate Similarity NPC312132
0.8061 Intermediate Similarity NPC259512
0.8056 Intermediate Similarity NPC114064
0.8056 Intermediate Similarity NPC123559
0.8056 Intermediate Similarity NPC141090
0.8056 Intermediate Similarity NPC203113
0.8056 Intermediate Similarity NPC193067
0.8056 Intermediate Similarity NPC150624
0.8041 Intermediate Similarity NPC76938
0.8021 Intermediate Similarity NPC270547
0.8021 Intermediate Similarity NPC155908
0.8021 Intermediate Similarity NPC304541
0.8 Intermediate Similarity NPC70677
0.8 Intermediate Similarity NPC318325
0.8 Intermediate Similarity NPC242240
0.8 Intermediate Similarity NPC130756
0.8 Intermediate Similarity NPC177420
0.8 Intermediate Similarity NPC248396
0.8 Intermediate Similarity NPC72729
0.8 Intermediate Similarity NPC280347
0.8 Intermediate Similarity NPC48730
0.8 Intermediate Similarity NPC174911
0.8 Intermediate Similarity NPC258219
0.8 Intermediate Similarity NPC129373
0.8 Intermediate Similarity NPC12931
0.8 Intermediate Similarity NPC123273
0.8 Intermediate Similarity NPC98772
0.7982 Intermediate Similarity NPC219070
0.7982 Intermediate Similarity NPC244816
0.7982 Intermediate Similarity NPC69261
0.7982 Intermediate Similarity NPC33270
0.7982 Intermediate Similarity NPC277588
0.7982 Intermediate Similarity NPC259638
0.7982 Intermediate Similarity NPC50521
0.7982 Intermediate Similarity NPC15860
0.7982 Intermediate Similarity NPC474933
0.7982 Intermediate Similarity NPC470759
0.7982 Intermediate Similarity NPC127894
0.7982 Intermediate Similarity NPC221549
0.7982 Intermediate Similarity NPC195466
0.798 Intermediate Similarity NPC109955

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC295295 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
0.9149 High Similarity NPD1242 Phase 1
0.866 High Similarity NPD846 Approved
0.866 High Similarity NPD940 Approved
0.8621 High Similarity NPD9093 Approved
0.8614 High Similarity NPD4750 Phase 3
0.8523 High Similarity NPD9089 Approved
0.8444 Intermediate Similarity NPD111 Approved
0.8144 Intermediate Similarity NPD844 Approved
0.8061 Intermediate Similarity NPD288 Approved
0.8 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7979 Intermediate Similarity NPD9094 Approved
0.7857 Intermediate Similarity NPD2934 Approved
0.7857 Intermediate Similarity NPD2933 Approved
0.7857 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD2860 Approved
0.7778 Intermediate Similarity NPD2859 Approved
0.7723 Intermediate Similarity NPD3020 Approved
0.767 Intermediate Similarity NPD9500 Approved
0.7624 Intermediate Similarity NPD9273 Approved
0.7614 Intermediate Similarity NPD9087 Approved
0.7576 Intermediate Similarity NPD845 Approved
0.75 Intermediate Similarity NPD4749 Approved
0.7473 Intermediate Similarity NPD9088 Approved
0.7453 Intermediate Similarity NPD1445 Approved
0.7453 Intermediate Similarity NPD1444 Approved
0.7426 Intermediate Similarity NPD1809 Phase 2
0.7407 Intermediate Similarity NPD3021 Approved
0.7407 Intermediate Similarity NPD3022 Approved
0.7339 Intermediate Similarity NPD9280 Clinical (unspecified phase)
0.7311 Intermediate Similarity NPD602 Approved
0.7311 Intermediate Similarity NPD858 Approved
0.7311 Intermediate Similarity NPD599 Approved
0.7311 Intermediate Similarity NPD859 Approved
0.7281 Intermediate Similarity NPD1548 Phase 1
0.7273 Intermediate Similarity NPD228 Approved
0.7265 Intermediate Similarity NPD9269 Phase 2
0.7248 Intermediate Similarity NPD1792 Phase 2
0.7217 Intermediate Similarity NPD9268 Approved
0.7179 Intermediate Similarity NPD1610 Phase 2
0.7179 Intermediate Similarity NPD422 Phase 1
0.7174 Intermediate Similarity NPD9294 Approved
0.7167 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7131 Intermediate Similarity NPD3027 Phase 3
0.7131 Intermediate Similarity NPD4625 Phase 3
0.7107 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7103 Intermediate Similarity NPD9610 Approved
0.7103 Intermediate Similarity NPD9244 Approved
0.7103 Intermediate Similarity NPD9608 Approved
0.7091 Intermediate Similarity NPD9380 Clinical (unspecified phase)
0.708 Intermediate Similarity NPD9618 Approved
0.708 Intermediate Similarity NPD9614 Approved
0.7073 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7064 Intermediate Similarity NPD2342 Discontinued
0.7064 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.7054 Intermediate Similarity NPD9377 Approved
0.7054 Intermediate Similarity NPD9379 Approved
0.7054 Intermediate Similarity NPD7635 Approved
0.7049 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD6671 Approved
0.7 Intermediate Similarity NPD74 Approved
0.7 Intermediate Similarity NPD9295 Approved
0.7 Intermediate Similarity NPD9266 Approved
0.6972 Remote Similarity NPD968 Approved
0.693 Remote Similarity NPD1791 Approved
0.693 Remote Similarity NPD1793 Approved
0.6917 Remote Similarity NPD2983 Phase 2
0.6917 Remote Similarity NPD2982 Phase 2
0.6911 Remote Similarity NPD4908 Phase 1
0.6909 Remote Similarity NPD9267 Approved
0.6909 Remote Similarity NPD9264 Approved
0.6909 Remote Similarity NPD9263 Approved
0.6909 Remote Similarity NPD290 Approved
0.6905 Remote Similarity NPD230 Phase 1
0.6897 Remote Similarity NPD9613 Approved
0.6897 Remote Similarity NPD9615 Approved
0.6897 Remote Similarity NPD9616 Approved
0.6864 Remote Similarity NPD9381 Approved
0.6864 Remote Similarity NPD9384 Approved
0.685 Remote Similarity NPD2568 Approved
0.6842 Remote Similarity NPD2228 Approved
0.6842 Remote Similarity NPD2234 Approved
0.6842 Remote Similarity NPD2229 Approved
0.6838 Remote Similarity NPD316 Approved
0.6838 Remote Similarity NPD3091 Approved
0.6833 Remote Similarity NPD2981 Phase 2
0.6825 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6825 Remote Similarity NPD1613 Approved
0.6825 Remote Similarity NPD943 Approved
0.6822 Remote Similarity NPD3028 Approved
0.681 Remote Similarity NPD9493 Approved
0.68 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6783 Remote Similarity NPD1476 Clinical (unspecified phase)
0.6777 Remote Similarity NPD9622 Approved
0.6768 Remote Similarity NPD9073 Approved
0.6752 Remote Similarity NPD317 Approved
0.6752 Remote Similarity NPD856 Approved
0.6752 Remote Similarity NPD318 Approved
0.6752 Remote Similarity NPD16 Approved
0.675 Remote Similarity NPD3092 Approved
0.675 Remote Similarity NPD1201 Approved
0.6744 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6723 Remote Similarity NPD3019 Approved
0.6723 Remote Similarity NPD4059 Approved
0.6723 Remote Similarity NPD2932 Approved
0.6695 Remote Similarity NPD2226 Clinical (unspecified phase)
0.6695 Remote Similarity NPD9545 Approved
0.6694 Remote Similarity NPD3018 Phase 2
0.6692 Remote Similarity NPD6100 Approved
0.6692 Remote Similarity NPD6099 Approved
0.6667 Remote Similarity NPD6124 Clinical (unspecified phase)
0.6667 Remote Similarity NPD9296 Approved
0.6667 Remote Similarity NPD4339 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3094 Phase 2
0.6667 Remote Similarity NPD405 Clinical (unspecified phase)
0.6639 Remote Similarity NPD4093 Discontinued
0.6639 Remote Similarity NPD1357 Approved
0.6615 Remote Similarity NPD651 Clinical (unspecified phase)
0.6613 Remote Similarity NPD9619 Approved
0.6613 Remote Similarity NPD9621 Approved
0.6613 Remote Similarity NPD9620 Approved
0.6612 Remote Similarity NPD5350 Clinical (unspecified phase)
0.6612 Remote Similarity NPD5351 Clinical (unspecified phase)
0.6591 Remote Similarity NPD970 Clinical (unspecified phase)
0.6585 Remote Similarity NPD6696 Suspended
0.6583 Remote Similarity NPD2286 Discontinued
0.6583 Remote Similarity NPD1751 Approved
0.6583 Remote Similarity NPD5238 Clinical (unspecified phase)
0.6583 Remote Similarity NPD1778 Approved
0.6581 Remote Similarity NPD709 Approved
0.6581 Remote Similarity NPD256 Approved
0.6581 Remote Similarity NPD255 Approved
0.6562 Remote Similarity NPD1240 Approved
0.6562 Remote Similarity NPD1555 Discontinued
0.6562 Remote Similarity NPD468 Phase 1
0.6557 Remote Similarity NPD1608 Approved
0.6555 Remote Similarity NPD1759 Phase 1
0.6552 Remote Similarity NPD7159 Clinical (unspecified phase)
0.6549 Remote Similarity NPD2684 Approved
0.6545 Remote Similarity NPD9261 Approved
0.6532 Remote Similarity NPD1133 Approved
0.6532 Remote Similarity NPD1470 Approved
0.6532 Remote Similarity NPD1129 Approved
0.6532 Remote Similarity NPD1134 Approved
0.6532 Remote Similarity NPD1135 Approved
0.6532 Remote Similarity NPD1131 Approved
0.6504 Remote Similarity NPD1755 Approved
0.6504 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6504 Remote Similarity NPD3600 Clinical (unspecified phase)
0.6496 Remote Similarity NPD497 Approved
0.6496 Remote Similarity NPD9281 Approved
0.6496 Remote Similarity NPD475 Phase 2
0.6493 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6475 Remote Similarity NPD1091 Approved
0.6471 Remote Similarity NPD1758 Phase 1
0.6466 Remote Similarity NPD821 Approved
0.6462 Remote Similarity NPD1607 Approved
0.6452 Remote Similarity NPD9634 Clinical (unspecified phase)
0.6446 Remote Similarity NPD3095 Discontinued
0.6446 Remote Similarity NPD4626 Approved
0.6434 Remote Similarity NPD2238 Phase 2
0.6429 Remote Similarity NPD2861 Phase 2
0.6423 Remote Similarity NPD2230 Approved
0.6423 Remote Similarity NPD2337 Clinical (unspecified phase)
0.6423 Remote Similarity NPD2233 Approved
0.6423 Remote Similarity NPD2561 Approved
0.6423 Remote Similarity NPD2232 Approved
0.6423 Remote Similarity NPD2562 Approved
0.641 Remote Similarity NPD495 Approved
0.641 Remote Similarity NPD5283 Phase 1
0.641 Remote Similarity NPD498 Approved
0.641 Remote Similarity NPD496 Approved
0.6406 Remote Similarity NPD601 Approved
0.6406 Remote Similarity NPD597 Approved
0.6406 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6406 Remote Similarity NPD598 Approved
0.64 Remote Similarity NPD3053 Approved
0.64 Remote Similarity NPD3055 Approved
0.6393 Remote Similarity NPD3496 Discontinued
0.6393 Remote Similarity NPD1980 Approved
0.6393 Remote Similarity NPD1983 Approved
0.6393 Remote Similarity NPD1981 Approved
0.6387 Remote Similarity NPD9568 Approved
0.6378 Remote Similarity NPD596 Approved
0.6378 Remote Similarity NPD600 Approved
0.6372 Remote Similarity NPD3134 Approved
0.6371 Remote Similarity NPD4659 Approved
0.6364 Remote Similarity NPD1510 Phase 2
0.6364 Remote Similarity NPD9250 Approved
0.6357 Remote Similarity NPD1136 Approved
0.6357 Remote Similarity NPD1132 Approved
0.6357 Remote Similarity NPD1130 Approved
0.635 Remote Similarity NPD7390 Discontinued
0.6349 Remote Similarity NPD6584 Phase 3
0.6349 Remote Similarity NPD257 Approved
0.6349 Remote Similarity NPD258 Approved
0.6325 Remote Similarity NPD7843 Approved
0.6324 Remote Similarity NPD302 Approved
0.6324 Remote Similarity NPD2219 Phase 1
0.6321 Remote Similarity NPD159 Clinical (unspecified phase)
0.632 Remote Similarity NPD5310 Approved

Structure

External Identifiers

PubChem CID   10436
ChEMBL   CHEMBL110059
ZINC  

Physicochemical Properties

Molecular Weight:  124.05
ALogP:  -0.2786
MLogP:  2.01
XLogP:  1.193
# Rotatable Bonds:  3
Polar Surface Area:  40.46
# H-Bond Aceptor:  0
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  9

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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