Natural Product: NPC86007

Natural Product ID:  NPC86007
Common Name:   3,5-Dibromo-2-(2,4-Dibromophenoxy)Phenol
IUPAC Name:   3,5-dibromo-2-(2,4-dibromophenoxy)phenol
Synonyms:  
Molecular Formula:   C12H6Br4O2
Standard InCHIKey:  SNCQITRZEBFIRW-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C12H6Br4O2/c13-6-1-2-11(8(15)3-6)18-12-9(16)4-7(14)5-10(12)17/h1-5,17H
Canonical SMILES:  Brc1ccc(c(c1)Br)Oc1c(O)cc(cc1Br)Br
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
NPO9044 Rubia ustulata Species Rubiaceae Eukaryota UNPD*
NPO17991 Sedum forsterianum Species Crassulaceae Eukaryota UNPD*
NPO32617 dysidea sp. Species Dysideidae Eukaryota PMID[18198840]
NPO32617 dysidea sp. Species Dysideidae Eukaryota Indo-Pacific PMID[7494145]
NPO19028 Dysidea granulosa Species Dysideidae Eukaryota PMID[25863431]
NPO13321 Viguiera cordifolia Species Asteraceae Eukaryota UNPD*
NPO16684 Alibertia macrophylla Species Rubiaceae Eukaryota UNPD*
NPO13985 Oxybasis urbica Species Chenopodiaceae Eukaryota UNPD*
NPO4863 Dioscorea futschauensis Species Dioscoreaceae Eukaryota UNPD*
NPO17673 Dysidea herbacea Species Dysideidae Eukaryota UNPD*
NPO17210 Dorstenia barnimiana Species Moraceae Eukaryota UNPD*
NPO7857 Verbascum georgicum Species Scrophulariaceae Eukaryota UNPD*
NPO16323 Umbilicaria proboscidea Species Umbilicariaceae Eukaryota UNPD*
NPO1793 Uvaria mocoli Species Annonaceae Eukaryota UNPD*
NPO16204 Zieria chevalieri Species Rutaceae Eukaryota UNPD*
NPO13746 Achillea leptophylla Species Asteraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT447 Organism Streptomyces Streptomyces IZ = 20 mm 18198840
NPT447 Organism Streptomyces Streptomyces IZ = 17 mm 18198840
NPT447 Organism Streptomyces Streptomyces IZ = 16 mm 18198840
NPT447 Organism Streptomyces Streptomyces IZ = 13 mm 18198840
NPT83 Cell Line MCF7 Homo sapiens IC50 = 2840 nM 18198840
NPT792 Individual Protein Arachidonate 15-lipoxygenase Homo sapiens IC50 = 15000 nM 7494145
NPT2 Others Unspecified EC50 = 5.71 % 7494145
NPT2784 Individual Protein GMP synthase [glutamine-hydrolyzing] Homo sapiens Inhibition = 56 % 7494145
NPT57 Individual Protein Induced myeloid leukemia cell differentiation protein Mcl-1 Homo sapiens IC50 = 2.4 ug/ml 19323567
NPT2921 Organism Pseudomonas Pseudomonas MIC = 4 ug/ml 25863431
NPT563 Organism Escherichia coli O157:H7 Escherichia coli O157:H7 MIC = 8 ug/ml 25863431
NPT2939 Organism Salmonella sp. Salmonella sp. MIC = 1 ug/ml 25863431
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 0.1 ug/ml 25863431
NPT2940 Organism Clostridium difficile Clostridium difficile MIC = 4 ug/ml 25863431
NPT314 Organism Bacillus cereus Bacillus cereus MIC = 0.1 ug/ml 25863431
NPT564 Organism Listeria monocytogenes Listeria monocytogenes MIC = 2 ug/ml 25863431
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 1 ug/ml 25863431
NPT2910 Organism Campylobacter jejuni Campylobacter jejuni MIC = 5 ug/ml 25863431
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC = 16 ug/ml 25863431
NPT1522 Organism Neisseria gonorrhoeae Neisseria gonorrhoeae MIC = 2 ug/ml 25863431
NPT173 Organism Klebsiella pneumoniae Klebsiella pneumoniae MIC = 0.1 ug/ml 25863431

  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 NPC86007 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 NPC44270
0.991 High Similarity NPC104124
0.9823 High Similarity NPC196371
0.9823 High Similarity NPC226737
0.9823 High Similarity NPC299939
0.9823 High Similarity NPC153580
0.9823 High Similarity NPC47769
0.9735 High Similarity NPC63317
0.9735 High Similarity NPC41232
0.9652 High Similarity NPC25134
0.9652 High Similarity NPC64130
0.9652 High Similarity NPC175520
0.9652 High Similarity NPC97157
0.9652 High Similarity NPC159866
0.9652 High Similarity NPC295879
0.9649 High Similarity NPC170824
0.9565 High Similarity NPC474375
0.9565 High Similarity NPC173511
0.9565 High Similarity NPC137922
0.9565 High Similarity NPC40302
0.9565 High Similarity NPC88733
0.9558 High Similarity NPC191194
0.9402 High Similarity NPC131940
0.9402 High Similarity NPC230013
0.9402 High Similarity NPC197576
0.9402 High Similarity NPC81149
0.9402 High Similarity NPC68350
0.9123 High Similarity NPC162294
0.9035 High Similarity NPC221301
0.9024 High Similarity NPC178301
0.9008 High Similarity NPC45728
0.8943 High Similarity NPC222684
0.8943 High Similarity NPC206183
0.8879 High Similarity NPC264379
0.8729 High Similarity NPC71186
0.8559 High Similarity NPC319933
0.8346 Intermediate Similarity NPC8577
0.8293 Intermediate Similarity NPC235166
0.824 Intermediate Similarity NPC1744
0.824 Intermediate Similarity NPC163019
0.7807 Intermediate Similarity NPC314803
0.7554 Intermediate Similarity NPC286337
0.7456 Intermediate Similarity NPC114325
0.7304 Intermediate Similarity NPC475466
0.7297 Intermediate Similarity NPC252149
0.726 Intermediate Similarity NPC152947
0.7246 Intermediate Similarity NPC245386
0.7214 Intermediate Similarity NPC271942
0.7188 Intermediate Similarity NPC86947
0.7117 Intermediate Similarity NPC319826
0.7111 Intermediate Similarity NPC13004
0.709 Intermediate Similarity NPC220311
0.7077 Intermediate Similarity NPC38483
0.7054 Intermediate Similarity NPC151617
0.7054 Intermediate Similarity NPC76915
0.7049 Intermediate Similarity NPC307875
0.7043 Intermediate Similarity NPC318429
0.7015 Intermediate Similarity NPC236265
0.697 Remote Similarity NPC205213
0.6964 Remote Similarity NPC125306
0.6957 Remote Similarity NPC11449
0.6957 Remote Similarity NPC226493
0.6957 Remote Similarity NPC160081
0.6953 Remote Similarity NPC94217
0.6947 Remote Similarity NPC214289
0.694 Remote Similarity NPC474169
0.694 Remote Similarity NPC473572
0.693 Remote Similarity NPC206876
0.6923 Remote Similarity NPC9248
0.6917 Remote Similarity NPC290451
0.6917 Remote Similarity NPC127389
0.6905 Remote Similarity NPC473358
0.6901 Remote Similarity NPC213471
0.6884 Remote Similarity NPC85049
0.6875 Remote Similarity NPC33244
0.6875 Remote Similarity NPC471488
0.6866 Remote Similarity NPC229213
0.6857 Remote Similarity NPC303011
0.6842 Remote Similarity NPC205850
0.6828 Remote Similarity NPC89341
0.6825 Remote Similarity NPC246358
0.6825 Remote Similarity NPC233731
0.6825 Remote Similarity NPC7097
0.6825 Remote Similarity NPC36108
0.6825 Remote Similarity NPC54543
0.6813 Remote Similarity NPC469979
0.6806 Remote Similarity NPC160932
0.68 Remote Similarity NPC124712
0.6794 Remote Similarity NPC293619
0.6791 Remote Similarity NPC145780
0.677 Remote Similarity NPC126128
0.677 Remote Similarity NPC207819
0.677 Remote Similarity NPC110454
0.677 Remote Similarity NPC473462
0.677 Remote Similarity NPC298981
0.6765 Remote Similarity NPC74478
0.6765 Remote Similarity NPC122792
0.6765 Remote Similarity NPC228972
0.6765 Remote Similarity NPC213414
0.6757 Remote Similarity NPC204932
0.6753 Remote Similarity NPC474535
0.6746 Remote Similarity NPC471495
0.6742 Remote Similarity NPC470626
0.6741 Remote Similarity NPC105147
0.6741 Remote Similarity NPC228875
0.6741 Remote Similarity NPC219444
0.6741 Remote Similarity NPC126216
0.6739 Remote Similarity NPC474147
0.6739 Remote Similarity NPC473708
0.6739 Remote Similarity NPC78061
0.6739 Remote Similarity NPC122359
0.6739 Remote Similarity NPC159987
0.6736 Remote Similarity NPC156356
0.6733 Remote Similarity NPC473608
0.672 Remote Similarity NPC41594
0.6719 Remote Similarity NPC173746
0.6719 Remote Similarity NPC257124
0.6719 Remote Similarity NPC139617
0.6719 Remote Similarity NPC156840
0.6719 Remote Similarity NPC195873
0.6719 Remote Similarity NPC78918
0.6719 Remote Similarity NPC8547
0.6716 Remote Similarity NPC307253
0.6715 Remote Similarity NPC142776
0.6715 Remote Similarity NPC3221
0.6715 Remote Similarity NPC87113
0.6715 Remote Similarity NPC194519
0.6712 Remote Similarity NPC250597
0.671 Remote Similarity NPC475697
0.6708 Remote Similarity NPC226001
0.6692 Remote Similarity NPC310338
0.6692 Remote Similarity NPC281298
0.6692 Remote Similarity NPC117759
0.6691 Remote Similarity NPC84606
0.6691 Remote Similarity NPC105999
0.669 Remote Similarity NPC303993
0.6689 Remote Similarity NPC109346
0.6667 Remote Similarity NPC17837
0.6667 Remote Similarity NPC43706
0.6667 Remote Similarity NPC58607
0.6667 Remote Similarity NPC134431
0.6667 Remote Similarity NPC38980
0.6667 Remote Similarity NPC191037
0.6667 Remote Similarity NPC304630
0.6667 Remote Similarity NPC178284
0.6667 Remote Similarity NPC184632
0.6667 Remote Similarity NPC156854
0.6646 Remote Similarity NPC301941
0.6646 Remote Similarity NPC214188
0.6646 Remote Similarity NPC74618
0.6646 Remote Similarity NPC225130
0.6642 Remote Similarity NPC117780
0.6642 Remote Similarity NPC56214
0.6642 Remote Similarity NPC227217
0.6642 Remote Similarity NPC114901
0.6642 Remote Similarity NPC293701
0.6642 Remote Similarity NPC165133
0.6642 Remote Similarity NPC242885
0.6642 Remote Similarity NPC137117
0.6642 Remote Similarity NPC10932
0.6642 Remote Similarity NPC232316
0.6642 Remote Similarity NPC61516
0.6642 Remote Similarity NPC247364
0.6642 Remote Similarity NPC48990
0.6642 Remote Similarity NPC95614
0.6642 Remote Similarity NPC232084
0.6641 Remote Similarity NPC471487
0.6639 Remote Similarity NPC307039
0.6639 Remote Similarity NPC132725
0.6619 Remote Similarity NPC210355
0.6619 Remote Similarity NPC319625
0.6619 Remote Similarity NPC111247
0.6619 Remote Similarity NPC50368
0.6619 Remote Similarity NPC292056
0.6619 Remote Similarity NPC470699
0.6619 Remote Similarity NPC118787
0.6619 Remote Similarity NPC183181
0.6619 Remote Similarity NPC163332
0.6619 Remote Similarity NPC147821
0.6619 Remote Similarity NPC41706
0.6618 Remote Similarity NPC47790
0.6618 Remote Similarity NPC296202
0.6599 Remote Similarity NPC474851
0.6599 Remote Similarity NPC474850
0.6593 Remote Similarity NPC207613
0.6593 Remote Similarity NPC269843
0.6593 Remote Similarity NPC109083
0.6593 Remote Similarity NPC224814
0.6593 Remote Similarity NPC60962
0.6593 Remote Similarity NPC14007
0.6593 Remote Similarity NPC189844
0.6591 Remote Similarity NPC79844
0.6589 Remote Similarity NPC55300
0.6587 Remote Similarity NPC232654
0.6581 Remote Similarity NPC157213
0.6573 Remote Similarity NPC163560
0.6573 Remote Similarity NPC471328
0.6573 Remote Similarity NPC244890
0.6571 Remote Similarity NPC72529
0.6571 Remote Similarity NPC226661

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC86007 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
0.7456 Intermediate Similarity NPD9296 Approved
0.7227 Intermediate Similarity NPD291 Approved
0.7043 Intermediate Similarity NPD9365 Approved
0.697 Remote Similarity NPD915 Approved
0.672 Remote Similarity NPD968 Approved
0.6719 Remote Similarity NPD228 Approved
0.6693 Remote Similarity NPD556 Approved
0.6581 Remote Similarity NPD9295 Approved
0.6454 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6449 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6439 Remote Similarity NPD9299 Approved
0.6429 Remote Similarity NPD9501 Approved
0.6429 Remote Similarity NPD9244 Approved
0.6406 Remote Similarity NPD290 Approved
0.6406 Remote Similarity NPD9552 Approved
0.6389 Remote Similarity NPD1558 Phase 1
0.6383 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6356 Remote Similarity NPD9094 Approved
0.6276 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6276 Remote Similarity NPD1613 Approved
0.6231 Remote Similarity NPD2684 Approved
0.6204 Remote Similarity NPD1798 Approved
0.6204 Remote Similarity NPD1797 Approved
0.6196 Remote Similarity NPD4010 Discontinued
0.6181 Remote Similarity NPD3027 Phase 3
0.6131 Remote Similarity NPD1548 Phase 1
0.6126 Remote Similarity NPD9087 Approved
0.6125 Remote Similarity NPD2296 Approved
0.6119 Remote Similarity NPD5283 Phase 1
0.6058 Remote Similarity NPD1408 Clinical (unspecified phase)
0.6058 Remote Similarity NPD1102 Approved
0.6058 Remote Similarity NPD1103 Approved
0.6053 Remote Similarity NPD9088 Approved
0.6045 Remote Similarity NPD7843 Approved
0.6043 Remote Similarity NPD6516 Phase 2
0.6043 Remote Similarity NPD5846 Approved
0.6029 Remote Similarity NPD6671 Approved
0.5971 Remote Similarity NPD1357 Approved
0.5957 Remote Similarity NPD1091 Approved
0.5957 Remote Similarity NPD1610 Phase 2
0.5957 Remote Similarity NPD1535 Discovery
0.5942 Remote Similarity NPD5536 Phase 2
0.594 Remote Similarity NPD3022 Approved
0.594 Remote Similarity NPD3021 Approved
0.5931 Remote Similarity NPD9494 Approved
0.5926 Remote Similarity NPD4288 Approved
0.5915 Remote Similarity NPD1481 Phase 2
0.5912 Remote Similarity NPD191 Approved
0.5912 Remote Similarity NPD7157 Approved
0.5903 Remote Similarity NPD3827 Clinical (unspecified phase)
0.5903 Remote Similarity NPD1318 Phase 2
0.5899 Remote Similarity NPD7534 Approved
0.5899 Remote Similarity NPD7533 Approved
0.5887 Remote Similarity NPD155 Clinical (unspecified phase)
0.5878 Remote Similarity NPD9697 Approved
0.5874 Remote Similarity NPD6582 Phase 2
0.5874 Remote Similarity NPD6583 Phase 3
0.5847 Remote Similarity NPD9089 Approved
0.5839 Remote Similarity NPD3619 Clinical (unspecified phase)
0.5839 Remote Similarity NPD3620 Phase 2
0.5839 Remote Similarity NPD4060 Phase 1
0.5822 Remote Similarity NPD2250 Discontinued
0.5811 Remote Similarity NPD3145 Approved
0.5811 Remote Similarity NPD3144 Approved
0.5809 Remote Similarity NPD5535 Approved
0.5809 Remote Similarity NPD821 Approved
0.5794 Remote Similarity NPD2934 Approved
0.5794 Remote Similarity NPD2933 Approved
0.5793 Remote Similarity NPD1203 Approved
0.5789 Remote Similarity NPD1169 Approved
0.5786 Remote Similarity NPD1894 Discontinued
0.5782 Remote Similarity NPD3537 Clinical (unspecified phase)
0.5782 Remote Similarity NPD5752 Clinical (unspecified phase)
0.5772 Remote Similarity NPD2674 Phase 3
0.5764 Remote Similarity NPD2982 Phase 2
0.5764 Remote Similarity NPD2983 Phase 2
0.5763 Remote Similarity NPD9093 Approved
0.5753 Remote Similarity NPD6584 Phase 3
0.5748 Remote Similarity NPD2859 Approved
0.5748 Remote Similarity NPD2860 Approved
0.5743 Remote Similarity NPD7095 Approved
0.5734 Remote Similarity NPD422 Phase 1
0.5724 Remote Similarity NPD3225 Approved
0.5714 Remote Similarity NPD5266 Clinical (unspecified phase)
0.5714 Remote Similarity NPD2861 Phase 2
0.5705 Remote Similarity NPD6798 Discontinued
0.5696 Remote Similarity NPD1511 Approved
0.5695 Remote Similarity NPD447 Suspended
0.5694 Remote Similarity NPD2235 Phase 2
0.5694 Remote Similarity NPD2231 Phase 2
0.5694 Remote Similarity NPD1608 Approved
0.5694 Remote Similarity NPD2981 Phase 2
0.5693 Remote Similarity NPD769 Approved
0.5685 Remote Similarity NPD2797 Approved
0.5685 Remote Similarity NPD9549 Phase 2
0.5676 Remote Similarity NPD4908 Phase 1
0.5674 Remote Similarity NPD1182 Approved
0.5672 Remote Similarity NPD1358 Approved
0.5667 Remote Similarity NPD3532 Approved
0.5667 Remote Similarity NPD4062 Phase 3
0.5667 Remote Similarity NPD3530 Approved
0.5667 Remote Similarity NPD6233 Phase 2
0.5667 Remote Similarity NPD3531 Approved
0.5662 Remote Similarity NPD2671 Approved
0.5662 Remote Similarity NPD2673 Approved
0.566 Remote Similarity NPD1754 Clinical (unspecified phase)
0.5646 Remote Similarity NPD5647 Approved
0.5641 Remote Similarity NPD4162 Approved
0.5638 Remote Similarity NPD4625 Phase 3
0.5629 Remote Similarity NPD5837 Clinical (unspecified phase)
0.5625 Remote Similarity NPD1512 Approved
0.5616 Remote Similarity NPD2922 Phase 1
0.5615 Remote Similarity NPD3020 Approved
0.561 Remote Similarity NPD1934 Approved
0.5608 Remote Similarity NPD3018 Phase 2
0.5605 Remote Similarity NPD6331 Phase 2
0.56 Remote Similarity NPD2802 Phase 3
0.56 Remote Similarity NPD4907 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   3086109
ChEMBL   CHEMBL258224
ZINC  

Physicochemical Properties

Molecular Weight:  497.71
ALogP:  2.9408
MLogP:  2.12
XLogP:  5.457
# Rotatable Bonds:  7
Polar Surface Area:  29.46
# H-Bond Aceptor:  0
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  18

Download Data

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