Natural Product: NPC100395

Natural Product ID:  NPC100395
Common Name:   3,5-Dibromo-4-Hydroxybenzaldehyde
IUPAC Name:   3,5-dibromo-4-hydroxybenzaldehyde
Synonyms:  
Molecular Formula:   C7H4Br2O2
Standard InCHIKey:  SXRHGLQCOLNZPT-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C7H4Br2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H
Canonical SMILES:  O=Cc1cc(Br)c(c(c1)Br)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
NPO16666 Eunicea calyculata Species Plexauridae Eukaryota UNPD*
NPO18964 Iva hayesiana Species Asteraceae Eukaryota UNPD*
NPO3608 Eleutherococcus giraldii Species Araliaceae Eukaryota UNPD*
NPO16219 Hyssopus lophanthoides Species Eulophidae Eukaryota UNPD*
NPO19344 Sporormiella teretispora Species Sporormiaceae Eukaryota UNPD*
NPO7040 Sinularia parva Species Alcyoniidae Eukaryota UNPD*
NPO27685 Abuta concolor Species Menispermaceae Eukaryota UNPD*
NPO17546 Torulaspora delbrueckii Species Saccharomycetaceae Eukaryota UNPD*
NPO18394 Linaria purpurea Species Plantaginaceae Eukaryota UNPD*
NPO17429 Teucrium creticum Species Lamiaceae Eukaryota UNPD*
NPO14922 Tarenna attenuata Species Rubiaceae Eukaryota UNPD*
NPO16010 Synoicum prunum Species Polyclinidae Eukaryota UNPD*
NPO1998 Premna serratifolia Species Lamiaceae Eukaryota UNPD*
NPO22229 Alternaria botrytis Species Pleosporaceae Eukaryota UNPD*
NPO17587 Polysiphonia urceolata Species Rhodomelaceae Eukaryota PMID[18088100]
NPO1192 Salvia corrugata Species Lamiaceae Eukaryota UNPD*
NPO17309 Halfordia scleroxyla Species Rutaceae Eukaryota UNPD*
NPO18308 Saponaria officinalis Species Caryophyllaceae Eukaryota UNPD*
NPO8996 Aplysina gerardogreeni Species Aplysinidae Eukaryota UNPD*
NPO19140 Aloe excelsa Species Asphodelaceae Eukaryota UNPD*
NPO20433 Garuga gamblei Species Burseraceae Eukaryota UNPD*
NPO14511 Lespedeza striata Species Fabaceae Eukaryota UNPD*
NPO18567 Salvia clevelandi Species Lamiaceae Eukaryota UNPD*
NPO18640 Tectona grandis Species Lamiaceae Eukaryota UNPD*
NPO19544 Camassia cusickii Species Asparagaceae Eukaryota UNPD*
NPO17173 Sporobolus alterniflorus Species Poaceae Eukaryota UNPD*
NPO13137 Isodon flexicaulis Species Lamiaceae Eukaryota UNPD*
NPO28880 Aquilegia coerulea Species Ranunculaceae Eukaryota UNPD*
NPO19739 Astragalus alexandri Species Fabaceae Eukaryota UNPD*
NPO16892 Helogyne hutchisonii NA NA NA UNPD*
NPO27736 Melanochromis auratus Species Cichlidae Eukaryota UNPD*
NPO25617 Lactococcus lactis Species Streptococcaceae Bacteria UNPD*
NPO18891 Stevia potrerensis Species Asteraceae Eukaryota UNPD*
NPO17672 Euryops linifolius Species Asteraceae Eukaryota UNPD*
NPO10706 Bergenia hissarica Species Saxifragaceae Eukaryota UNPD*
NPO14318 Lespedeza davidii Species Fabaceae Eukaryota UNPD*
NPO18477 Celastrus scandens Species Celastraceae Eukaryota UNPD*
NPO13566 Hypoxylon serpens Species Xylariaceae Eukaryota UNPD*
NPO3680 Beilschmiedia obtusifolia Species Lauraceae Eukaryota UNPD*
NPO14030 Alcyonium paessleri Species Alcyoniidae Eukaryota UNPD*
NPO17974 Sarcophyton subviride Species Orchidaceae Eukaryota UNPD*
NPO647 Rhodotorula glutinis Species Sporidiobolaceae Eukaryota UNPD*
NPO19480 Laurencia nipponica Species Rhodomelaceae Eukaryota UNPD*
NPO15695 Mikania vitifolia Species Asteraceae Eukaryota UNPD*
NPO10038.2 Abies pinsapo var. tazaotana Varieties Pinaceae Eukaryota UNPD*
NPO1550 Talaromyces purpureogenus Species Trichocomaceae Eukaryota UNPD*
NPO12767 Cassipourea gummiflua Species Rhizophoraceae Eukaryota UNPD*
NPO3628 Solanum aethiopicum Species Solanaceae Eukaryota UNPD*
NPO16528 Psydrax dicoccos Species Rubiaceae Eukaryota UNPD*
NPO19053 Pteris formosana Species Pteridaceae Eukaryota UNPD*
NPO17559 Coespeletia lutescens Species Asteraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 35800 nM 18088100

  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 NPC100395 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
0.871 High Similarity NPC214553
0.8583 High Similarity NPC474135
0.843 Intermediate Similarity NPC180207
0.8407 Intermediate Similarity NPC219913
0.8385 Intermediate Similarity NPC199089
0.8182 Intermediate Similarity NPC177967
0.8182 Intermediate Similarity NPC471237
0.812 Intermediate Similarity NPC197766
0.812 Intermediate Similarity NPC471236
0.7941 Intermediate Similarity NPC250597
0.7939 Intermediate Similarity NPC110800
0.7795 Intermediate Similarity NPC116562
0.7778 Intermediate Similarity NPC163734
0.7754 Intermediate Similarity NPC147137
0.7724 Intermediate Similarity NPC278102
0.7712 Intermediate Similarity NPC6984
0.7686 Intermediate Similarity NPC212718
0.7686 Intermediate Similarity NPC114682
0.7676 Intermediate Similarity NPC473608
0.7667 Intermediate Similarity NPC54543
0.7647 Intermediate Similarity NPC29883
0.7647 Intermediate Similarity NPC303264
0.7647 Intermediate Similarity NPC226699
0.7643 Intermediate Similarity NPC122599
0.7643 Intermediate Similarity NPC270848
0.7643 Intermediate Similarity NPC272868
0.7603 Intermediate Similarity NPC473358
0.76 Intermediate Similarity NPC174087
0.7583 Intermediate Similarity NPC17525
0.7563 Intermediate Similarity NPC184658
0.7561 Intermediate Similarity NPC11824
0.754 Intermediate Similarity NPC283844
0.7537 Intermediate Similarity NPC259017
0.7521 Intermediate Similarity NPC95172
0.746 Intermediate Similarity NPC230349
0.7459 Intermediate Similarity NPC116842
0.7448 Intermediate Similarity NPC470710
0.7438 Intermediate Similarity NPC471495
0.741 Intermediate Similarity NPC81137
0.7398 Intermediate Similarity NPC268388
0.7391 Intermediate Similarity NPC286006
0.7364 Intermediate Similarity NPC216216
0.7344 Intermediate Similarity NPC117759
0.7339 Intermediate Similarity NPC231717
0.7328 Intermediate Similarity NPC105999
0.7308 Intermediate Similarity NPC295034
0.7299 Intermediate Similarity NPC471328
0.728 Intermediate Similarity NPC242136
0.7273 Intermediate Similarity NPC213414
0.7266 Intermediate Similarity NPC184527
0.7266 Intermediate Similarity NPC249435
0.7266 Intermediate Similarity NPC94298
0.7266 Intermediate Similarity NPC27633
0.7258 Intermediate Similarity NPC57879
0.7244 Intermediate Similarity NPC131192
0.7241 Intermediate Similarity NPC178097
0.7222 Intermediate Similarity NPC115803
0.7222 Intermediate Similarity NPC163154
0.7209 Intermediate Similarity NPC473767
0.7165 Intermediate Similarity NPC160179
0.7165 Intermediate Similarity NPC322197
0.7143 Intermediate Similarity NPC33244
0.7143 Intermediate Similarity NPC471488
0.7143 Intermediate Similarity NPC252149
0.7131 Intermediate Similarity NPC187913
0.7121 Intermediate Similarity NPC296202
0.7109 Intermediate Similarity NPC79844
0.7109 Intermediate Similarity NPC83718
0.709 Intermediate Similarity NPC142776
0.7087 Intermediate Similarity NPC252004
0.7087 Intermediate Similarity NPC94217
0.708 Intermediate Similarity NPC11449
0.7073 Intermediate Similarity NPC34715
0.7073 Intermediate Similarity NPC141523
0.7059 Intermediate Similarity NPC280869
0.7054 Intermediate Similarity NPC28169
0.7054 Intermediate Similarity NPC150919
0.7045 Intermediate Similarity NPC7830
0.7034 Intermediate Similarity NPC283711
0.7023 Intermediate Similarity NPC474146
0.7016 Intermediate Similarity NPC224584
0.7016 Intermediate Similarity NPC100551
0.7007 Intermediate Similarity NPC478071
0.7 Intermediate Similarity NPC273282
0.7 Intermediate Similarity NPC161943
0.7 Intermediate Similarity NPC241089
0.7 Intermediate Similarity NPC52472
0.7 Intermediate Similarity NPC474890
0.6992 Remote Similarity NPC95178
0.6992 Remote Similarity NPC69332
0.6992 Remote Similarity NPC475192
0.6992 Remote Similarity NPC29989
0.6985 Remote Similarity NPC203719
0.6985 Remote Similarity NPC117237
0.6985 Remote Similarity NPC473787
0.6975 Remote Similarity NPC260000
0.697 Remote Similarity NPC471486
0.6947 Remote Similarity NPC158222
0.6947 Remote Similarity NPC156654
0.6947 Remote Similarity NPC61779
0.6947 Remote Similarity NPC161617
0.6934 Remote Similarity NPC3009
0.6923 Remote Similarity NPC181709
0.6917 Remote Similarity NPC245561
0.6905 Remote Similarity NPC183648
0.6897 Remote Similarity NPC184632
0.6894 Remote Similarity NPC159525
0.6889 Remote Similarity NPC184219
0.6884 Remote Similarity NPC78662
0.6884 Remote Similarity NPC8005
0.6884 Remote Similarity NPC476119
0.6875 Remote Similarity NPC59387
0.687 Remote Similarity NPC40649
0.687 Remote Similarity NPC209486
0.6867 Remote Similarity NPC471235
0.6867 Remote Similarity NPC235033
0.6867 Remote Similarity NPC73132
0.6866 Remote Similarity NPC69403
0.6866 Remote Similarity NPC47790
0.6866 Remote Similarity NPC139171
0.6866 Remote Similarity NPC67300
0.6866 Remote Similarity NPC291189
0.6864 Remote Similarity NPC81010
0.6864 Remote Similarity NPC32977
0.6861 Remote Similarity NPC122359
0.6861 Remote Similarity NPC78061
0.6861 Remote Similarity NPC159987
0.6857 Remote Similarity NPC243404
0.6855 Remote Similarity NPC70843
0.6855 Remote Similarity NPC19149
0.685 Remote Similarity NPC23332
0.6842 Remote Similarity NPC297186
0.6842 Remote Similarity NPC248363
0.6838 Remote Similarity NPC49938
0.6835 Remote Similarity NPC245395
0.6835 Remote Similarity NPC298268
0.6825 Remote Similarity NPC88141
0.6822 Remote Similarity NPC81808
0.6822 Remote Similarity NPC285350
0.6818 Remote Similarity NPC38483
0.681 Remote Similarity NPC62765
0.6803 Remote Similarity NPC472585
0.6791 Remote Similarity NPC73532
0.6791 Remote Similarity NPC136543
0.6791 Remote Similarity NPC156139
0.6791 Remote Similarity NPC224273
0.6791 Remote Similarity NPC45438
0.6791 Remote Similarity NPC303737
0.6791 Remote Similarity NPC19174
0.6791 Remote Similarity NPC143427
0.6791 Remote Similarity NPC120545
0.6791 Remote Similarity NPC267552
0.6791 Remote Similarity NPC115159
0.6788 Remote Similarity NPC204579
0.6788 Remote Similarity NPC110211
0.6774 Remote Similarity NPC13495
0.6772 Remote Similarity NPC471487
0.6772 Remote Similarity NPC21162
0.6769 Remote Similarity NPC23402
0.6767 Remote Similarity NPC294037
0.6767 Remote Similarity NPC294964
0.6765 Remote Similarity NPC221798
0.6765 Remote Similarity NPC137117
0.6763 Remote Similarity NPC105702
0.6748 Remote Similarity NPC68269
0.6748 Remote Similarity NPC304638
0.6746 Remote Similarity NPC317305
0.6746 Remote Similarity NPC31274
0.6744 Remote Similarity NPC98543
0.6744 Remote Similarity NPC211421
0.6742 Remote Similarity NPC94637
0.6742 Remote Similarity NPC41567
0.6741 Remote Similarity NPC91478
0.6741 Remote Similarity NPC229213
0.6741 Remote Similarity NPC225710
0.6741 Remote Similarity NPC32032
0.6741 Remote Similarity NPC282577
0.6741 Remote Similarity NPC133909
0.6741 Remote Similarity NPC309765
0.6741 Remote Similarity NPC68167
0.6724 Remote Similarity NPC104216
0.6721 Remote Similarity NPC253746
0.672 Remote Similarity NPC317592
0.6719 Remote Similarity NPC54626
0.6718 Remote Similarity NPC128825
0.6718 Remote Similarity NPC128249
0.6716 Remote Similarity NPC146642
0.6716 Remote Similarity NPC149246
0.6716 Remote Similarity NPC190971
0.6716 Remote Similarity NPC295317
0.6714 Remote Similarity NPC62219
0.6711 Remote Similarity NPC97188
0.6694 Remote Similarity NPC201967
0.6694 Remote Similarity NPC120693
0.6694 Remote Similarity NPC8931
0.6694 Remote Similarity NPC261573
0.6693 Remote Similarity NPC473372
0.6693 Remote Similarity NPC326187
0.6692 Remote Similarity NPC90522
0.6692 Remote Similarity NPC328459

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC100395 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
0.7647 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.7388 Intermediate Similarity NPD9718 Approved
0.7266 Intermediate Similarity NPD9545 Approved
0.7107 Intermediate Similarity NPD9244 Approved
0.7086 Intermediate Similarity NPD2296 Approved
0.7016 Intermediate Similarity NPD9266 Approved
0.7016 Intermediate Similarity NPD74 Approved
0.6985 Remote Similarity NPD9494 Approved
0.6947 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6935 Remote Similarity NPD9267 Approved
0.6935 Remote Similarity NPD9263 Approved
0.6935 Remote Similarity NPD9264 Approved
0.681 Remote Similarity NPD9258 Approved
0.681 Remote Similarity NPD9256 Approved
0.6741 Remote Similarity NPD9269 Phase 2
0.6718 Remote Similarity NPD9493 Approved
0.6692 Remote Similarity NPD9268 Approved
0.6613 Remote Similarity NPD9261 Approved
0.6591 Remote Similarity NPD405 Clinical (unspecified phase)
0.6565 Remote Similarity NPD9281 Approved
0.656 Remote Similarity NPD1237 Approved
0.6522 Remote Similarity NPD111 Approved
0.6466 Remote Similarity NPD9259 Approved
0.6466 Remote Similarity NPD9257 Approved
0.6458 Remote Similarity NPD230 Phase 1
0.6433 Remote Similarity NPD4288 Approved
0.6398 Remote Similarity NPD1161 Approved
0.6389 Remote Similarity NPD1240 Approved
0.6364 Remote Similarity NPD1241 Discontinued
0.6357 Remote Similarity NPD1164 Approved
0.6327 Remote Similarity NPD1510 Phase 2
0.6301 Remote Similarity NPD1607 Approved
0.6299 Remote Similarity NPD5586 Clinical (unspecified phase)
0.6276 Remote Similarity NPD943 Approved
0.6259 Remote Similarity NPD3972 Approved
0.6221 Remote Similarity NPD4287 Approved
0.62 Remote Similarity NPD1549 Phase 2
0.6187 Remote Similarity NPD1201 Approved
0.6179 Remote Similarity NPD2933 Approved
0.6179 Remote Similarity NPD2934 Approved
0.616 Remote Similarity NPD9495 Approved
0.6149 Remote Similarity NPD3269 Clinical (unspecified phase)
0.6148 Remote Similarity NPD256 Approved
0.6148 Remote Similarity NPD255 Approved
0.6143 Remote Similarity NPD9717 Approved
0.6138 Remote Similarity NPD3764 Approved
0.6133 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6133 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6129 Remote Similarity NPD2859 Approved
0.6129 Remote Similarity NPD2860 Approved
0.6127 Remote Similarity NPD1470 Approved
0.6127 Remote Similarity NPD1203 Approved
0.6111 Remote Similarity NPD1238 Approved
0.6111 Remote Similarity NPD1168 Approved
0.6107 Remote Similarity NPD651 Clinical (unspecified phase)
0.6107 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6103 Remote Similarity NPD9568 Approved
0.6098 Remote Similarity NPD1202 Approved
0.6096 Remote Similarity NPD520 Approved
0.6067 Remote Similarity NPD1551 Phase 2
0.6054 Remote Similarity NPD4445 Approved
0.6053 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6048 Remote Similarity NPD1432 Clinical (unspecified phase)
0.6048 Remote Similarity NPD9260 Approved
0.6026 Remote Similarity NPD2344 Approved
0.6014 Remote Similarity NPD1894 Discontinued
0.6013 Remote Similarity NPD4628 Phase 3
0.6 Remote Similarity NPD1809 Phase 2
0.6 Remote Similarity NPD1169 Approved
0.5987 Remote Similarity NPD970 Clinical (unspecified phase)
0.5985 Remote Similarity NPD6831 Clinical (unspecified phase)
0.5984 Remote Similarity NPD3020 Approved
0.596 Remote Similarity NPD2935 Discontinued
0.5957 Remote Similarity NPD1547 Clinical (unspecified phase)
0.5954 Remote Similarity NPD3134 Approved
0.5946 Remote Similarity NPD3142 Approved
0.5946 Remote Similarity NPD3140 Approved
0.5944 Remote Similarity NPD1876 Approved
0.5938 Remote Similarity NPD1242 Phase 1
0.5929 Remote Similarity NPD3019 Approved
0.5929 Remote Similarity NPD2932 Approved
0.5915 Remote Similarity NPD1481 Phase 2
0.5909 Remote Similarity NPD1358 Approved
0.5891 Remote Similarity NPD846 Approved
0.5891 Remote Similarity NPD940 Approved
0.5874 Remote Similarity NPD4379 Clinical (unspecified phase)
0.5874 Remote Similarity NPD1755 Approved
0.5871 Remote Similarity NPD2309 Approved
0.586 Remote Similarity NPD7422 Clinical (unspecified phase)
0.5855 Remote Similarity NPD5405 Approved
0.5855 Remote Similarity NPD5404 Approved
0.5855 Remote Similarity NPD5406 Approved
0.5855 Remote Similarity NPD5408 Approved
0.5852 Remote Similarity NPD1609 Clinical (unspecified phase)
0.5852 Remote Similarity NPD9508 Approved
0.5845 Remote Similarity NPD1535 Discovery
0.5841 Remote Similarity NPD9087 Approved
0.584 Remote Similarity NPD845 Approved
0.5826 Remote Similarity NPD9294 Approved
0.5823 Remote Similarity NPD9509 Clinical (unspecified phase)
0.5822 Remote Similarity NPD4208 Discontinued
0.5821 Remote Similarity NPD9380 Clinical (unspecified phase)
0.5817 Remote Similarity NPD2343 Clinical (unspecified phase)
0.5811 Remote Similarity NPD411 Approved
0.5809 Remote Similarity NPD5277 Phase 2
0.5802 Remote Similarity NPD164 Approved
0.5798 Remote Similarity NPD9491 Approved
0.5786 Remote Similarity NPD1759 Phase 1
0.5781 Remote Similarity NPD9273 Approved
0.5778 Remote Similarity NPD2181 Clinical (unspecified phase)
0.5776 Remote Similarity NPD9088 Approved
0.5776 Remote Similarity NPD4380 Phase 2
0.5769 Remote Similarity NPD6190 Approved
0.5759 Remote Similarity NPD4378 Clinical (unspecified phase)
0.5759 Remote Similarity NPD7410 Clinical (unspecified phase)
0.5753 Remote Similarity NPD1019 Discontinued
0.5753 Remote Similarity NPD2798 Approved
0.5752 Remote Similarity NPD2796 Approved
0.5748 Remote Similarity NPD844 Approved
0.5746 Remote Similarity NPD2182 Approved
0.5735 Remote Similarity NPD6124 Clinical (unspecified phase)
0.5732 Remote Similarity NPD7440 Discontinued
0.5732 Remote Similarity NPD643 Clinical (unspecified phase)
0.5731 Remote Similarity NPD1170 Approved
0.5725 Remote Similarity NPD1930 Approved
0.5725 Remote Similarity NPD1931 Clinical (unspecified phase)
0.5725 Remote Similarity NPD1929 Approved
0.5725 Remote Similarity NPD5951 Approved
0.5724 Remote Similarity NPD9279 Approved
0.5724 Remote Similarity NPD1283 Approved
0.5724 Remote Similarity NPD743 Approved
0.5714 Remote Similarity NPD7458 Discontinued
0.5714 Remote Similarity NPD968 Approved
0.5714 Remote Similarity NPD1758 Phase 1
0.5714 Remote Similarity NPD9092 Discovery
0.5714 Remote Similarity NPD454 Approved
0.5714 Remote Similarity NPD824 Approved
0.5705 Remote Similarity NPD6859 Clinical (unspecified phase)
0.5705 Remote Similarity NPD3750 Approved
0.5705 Remote Similarity NPD1878 Clinical (unspecified phase)
0.5705 Remote Similarity NPD7003 Approved
0.5705 Remote Similarity NPD2313 Discontinued
0.5703 Remote Similarity NPD288 Approved
0.5696 Remote Similarity NPD6799 Approved
0.5696 Remote Similarity NPD7390 Discontinued
0.5696 Remote Similarity NPD1511 Approved
0.5695 Remote Similarity NPD447 Suspended
0.5694 Remote Similarity NPD1608 Approved
0.5694 Remote Similarity NPD4878 Approved
0.5692 Remote Similarity NPD289 Clinical (unspecified phase)
0.5686 Remote Similarity NPD2799 Discontinued
0.5682 Remote Similarity NPD9608 Approved
0.5682 Remote Similarity NPD9610 Approved
0.5676 Remote Similarity NPD6832 Phase 2
0.5676 Remote Similarity NPD4207 Discontinued
0.5669 Remote Similarity NPD2354 Approved
0.5667 Remote Similarity NPD6663 Approved
0.566 Remote Similarity NPD2534 Approved
0.566 Remote Similarity NPD2532 Approved
0.566 Remote Similarity NPD2533 Approved
0.566 Remote Similarity NPD642 Clinical (unspecified phase)
0.5658 Remote Similarity NPD6651 Approved
0.5655 Remote Similarity NPD5158 Clinical (unspecified phase)
0.5655 Remote Similarity NPD5159 Phase 2
0.5655 Remote Similarity NPD5157 Phase 1
0.5652 Remote Similarity NPD7159 Clinical (unspecified phase)
0.5646 Remote Similarity NPD258 Approved
0.5646 Remote Similarity NPD6007 Clinical (unspecified phase)
0.5646 Remote Similarity NPD257 Approved
0.5644 Remote Similarity NPD7411 Suspended
0.5638 Remote Similarity NPD1223 Clinical (unspecified phase)
0.5632 Remote Similarity NPD1298 Discontinued
0.563 Remote Similarity NPD9093 Approved
0.5629 Remote Similarity NPD825 Approved
0.5629 Remote Similarity NPD826 Approved
0.5625 Remote Similarity NPD1512 Approved
0.562 Remote Similarity NPD228 Approved
0.5617 Remote Similarity NPD3229 Phase 2
0.5617 Remote Similarity NPD3455 Phase 2
0.5616 Remote Similarity NPD196 Phase 1
0.5615 Remote Similarity NPD2066 Phase 3
0.5612 Remote Similarity NPD690 Clinical (unspecified phase)
0.561 Remote Similarity NPD7577 Discontinued
0.561 Remote Similarity NPD1934 Approved
0.5608 Remote Similarity NPD5736 Approved
0.5608 Remote Similarity NPD9569 Approved
0.5605 Remote Similarity NPD8166 Discontinued
0.5603 Remote Similarity NPD5536 Phase 2
0.5602 Remote Similarity NPD4868 Clinical (unspecified phase)
0.5602 Remote Similarity NPD3882 Suspended

Structure

External Identifiers

PubChem CID   18100
ChEMBL   CHEMBL254956
ZINC  

Physicochemical Properties

Molecular Weight:  277.86
ALogP:  1.1249
MLogP:  1.79
XLogP:  2.352
# Rotatable Bonds:  4
Polar Surface Area:  37.3
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  11

Download Data

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