Natural Product: NPC191194

Natural Product ID:  NPC191194
Common Name:   3,4-Dibromo-2-(5-Bromo-2-Hydroxyphenoxy)Phenol
IUPAC Name:   3,4-dibromo-2-(5-bromo-2-hydroxyphenoxy)phenol
Synonyms:  
Molecular Formula:   C12H7Br3O3
Standard InCHIKey:  MQTQEJZMDKSDNZ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C12H7Br3O3/c13-6-1-3-8(16)10(5-6)18-12-9(17)4-2-7(14)11(12)15/h1-5,16-17H
Canonical SMILES:  Brc1ccc(c(c1)Oc1c(O)ccc(c1Br)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
NPO16684 Alibertia macrophylla Species Rubiaceae Eukaryota UNPD*
NPO4485 Lamellodysidea herbacea Species Dysideidae Eukaryota Indonesia PMID[17311456]
NPO7857 Verbascum georgicum Species Scrophulariaceae Eukaryota UNPD*
NPO17991 Sedum forsterianum Species Crassulaceae Eukaryota UNPD*
NPO17210 Dorstenia barnimiana Species Moraceae Eukaryota UNPD*
NPO16323 Umbilicaria proboscidea Species Umbilicariaceae Eukaryota UNPD*
NPO13321 Viguiera cordifolia Species Asteraceae Eukaryota UNPD*
NPO1793 Uvaria mocoli Species Annonaceae Eukaryota UNPD*
NPO13985 Oxybasis urbica Species Chenopodiaceae Eukaryota UNPD*
NPO13746 Achillea leptophylla Species Asteraceae Eukaryota UNPD*
NPO17673 Dysidea herbacea Species Dysideidae Eukaryota UNPD*
NPO4863 Dioscorea futschauensis Species Dioscoreaceae Eukaryota UNPD*
NPO16204 Zieria chevalieri Species Rutaceae Eukaryota UNPD*
NPO9044 Rubia ustulata Species Rubiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1119 Individual Protein Arachidonate 12-lipoxygenase Homo sapiens IC50 = 47000 nM 15267244
NPT792 Individual Protein Arachidonate 15-lipoxygenase Homo sapiens IC50 = 11000 nM 15267244
NPT2 Others Unspecified IC50 > 100000 nM 15267244
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 7 mm 17311456
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 13 mm 17311456
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 16 mm 17311456
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 18 mm 17311456

  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 NPC191194 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
0.9735 High Similarity NPC299939
0.9735 High Similarity NPC153580
0.9735 High Similarity NPC226737
0.9646 High Similarity NPC63317
0.9646 High Similarity NPC41232
0.9565 High Similarity NPC64130
0.9565 High Similarity NPC175520
0.9565 High Similarity NPC97157
0.9565 High Similarity NPC159866
0.9565 High Similarity NPC25134
0.9565 High Similarity NPC295879
0.9558 High Similarity NPC44270
0.9558 High Similarity NPC86007
0.9478 High Similarity NPC474375
0.9478 High Similarity NPC173511
0.9478 High Similarity NPC137922
0.9478 High Similarity NPC88733
0.9478 High Similarity NPC40302
0.9469 High Similarity NPC104124
0.9391 High Similarity NPC196371
0.9391 High Similarity NPC47769
0.9316 High Similarity NPC197576
0.9316 High Similarity NPC131940
0.9316 High Similarity NPC81149
0.9316 High Similarity NPC230013
0.9316 High Similarity NPC68350
0.9224 High Similarity NPC170824
0.8943 High Similarity NPC178301
0.8862 High Similarity NPC222684
0.8862 High Similarity NPC206183
0.8793 High Similarity NPC264379
0.877 High Similarity NPC45728
0.8707 High Similarity NPC162294
0.8644 High Similarity NPC71186
0.8621 High Similarity NPC221301
0.816 Intermediate Similarity NPC163019
0.816 Intermediate Similarity NPC1744
0.8142 Intermediate Similarity NPC319933
0.8065 Intermediate Similarity NPC235166
0.8 Intermediate Similarity NPC8577
0.7876 Intermediate Similarity NPC314803
0.7522 Intermediate Similarity NPC114325
0.7426 Intermediate Similarity NPC245386
0.731 Intermediate Similarity NPC152947
0.7273 Intermediate Similarity NPC220311
0.7259 Intermediate Similarity NPC226493
0.7259 Intermediate Similarity NPC160081
0.7244 Intermediate Similarity NPC86947
0.7234 Intermediate Similarity NPC286337
0.7217 Intermediate Similarity NPC475466
0.7185 Intermediate Similarity NPC85049
0.7182 Intermediate Similarity NPC319826
0.7143 Intermediate Similarity NPC271942
0.7132 Intermediate Similarity NPC38483
0.7113 Intermediate Similarity NPC89341
0.7109 Intermediate Similarity NPC76915
0.7109 Intermediate Similarity NPC151617
0.7107 Intermediate Similarity NPC307875
0.7105 Intermediate Similarity NPC318429
0.7092 Intermediate Similarity NPC160932
0.7054 Intermediate Similarity NPC252149
0.7037 Intermediate Similarity NPC13004
0.7027 Intermediate Similarity NPC125306
0.7023 Intermediate Similarity NPC205213
0.702 Intermediate Similarity NPC474535
0.7015 Intermediate Similarity NPC142776
0.7007 Intermediate Similarity NPC473608
0.7 Intermediate Similarity NPC214289
0.6992 Remote Similarity NPC473572
0.6992 Remote Similarity NPC474169
0.6991 Remote Similarity NPC206876
0.6977 Remote Similarity NPC9248
0.6974 Remote Similarity NPC475697
0.697 Remote Similarity NPC290451
0.697 Remote Similarity NPC127389
0.694 Remote Similarity NPC236265
0.694 Remote Similarity NPC137117
0.6917 Remote Similarity NPC47790
0.6917 Remote Similarity NPC229213
0.6894 Remote Similarity NPC205850
0.688 Remote Similarity NPC233731
0.688 Remote Similarity NPC36108
0.688 Remote Similarity NPC246358
0.688 Remote Similarity NPC7097
0.6857 Remote Similarity NPC244890
0.6857 Remote Similarity NPC163560
0.6855 Remote Similarity NPC124712
0.6849 Remote Similarity NPC109346
0.6846 Remote Similarity NPC293619
0.6842 Remote Similarity NPC145780
0.6818 Remote Similarity NPC204932
0.6815 Remote Similarity NPC122792
0.6815 Remote Similarity NPC228972
0.6815 Remote Similarity NPC74478
0.68 Remote Similarity NPC471495
0.6794 Remote Similarity NPC470626
0.6791 Remote Similarity NPC228875
0.6791 Remote Similarity NPC126216
0.6791 Remote Similarity NPC105147
0.6788 Remote Similarity NPC122359
0.6788 Remote Similarity NPC159987
0.6788 Remote Similarity NPC78061
0.6788 Remote Similarity NPC474147
0.6788 Remote Similarity NPC473708
0.6786 Remote Similarity NPC303011
0.6783 Remote Similarity NPC156356
0.6774 Remote Similarity NPC41594
0.6772 Remote Similarity NPC139617
0.6772 Remote Similarity NPC156840
0.6772 Remote Similarity NPC173746
0.6772 Remote Similarity NPC8547
0.6772 Remote Similarity NPC78918
0.6772 Remote Similarity NPC195873
0.6772 Remote Similarity NPC257124
0.6767 Remote Similarity NPC307253
0.6765 Remote Similarity NPC87113
0.6765 Remote Similarity NPC194519
0.6765 Remote Similarity NPC3221
0.6763 Remote Similarity NPC11449
0.6759 Remote Similarity NPC250597
0.6744 Remote Similarity NPC94217
0.6742 Remote Similarity NPC281298
0.6742 Remote Similarity NPC117759
0.6742 Remote Similarity NPC310338
0.6739 Remote Similarity NPC150929
0.6738 Remote Similarity NPC303993
0.6715 Remote Similarity NPC178284
0.6715 Remote Similarity NPC58607
0.6715 Remote Similarity NPC134431
0.6715 Remote Similarity NPC304630
0.6715 Remote Similarity NPC156854
0.6715 Remote Similarity NPC191037
0.6715 Remote Similarity NPC43706
0.6715 Remote Similarity NPC17837
0.6713 Remote Similarity NPC224663
0.6713 Remote Similarity NPC213471
0.6712 Remote Similarity NPC184632
0.671 Remote Similarity NPC38980
0.6694 Remote Similarity NPC132725
0.6694 Remote Similarity NPC307039
0.6693 Remote Similarity NPC471487
0.6693 Remote Similarity NPC473358
0.6692 Remote Similarity NPC232316
0.6692 Remote Similarity NPC247364
0.6692 Remote Similarity NPC227217
0.6692 Remote Similarity NPC165133
0.6692 Remote Similarity NPC242885
0.6692 Remote Similarity NPC95614
0.6692 Remote Similarity NPC117780
0.6692 Remote Similarity NPC56214
0.6692 Remote Similarity NPC232084
0.6692 Remote Similarity NPC10932
0.6692 Remote Similarity NPC61516
0.6691 Remote Similarity NPC114901
0.6691 Remote Similarity NPC293701
0.6691 Remote Similarity NPC48990
0.6691 Remote Similarity NPC474536
0.6667 Remote Similarity NPC111247
0.6667 Remote Similarity NPC292056
0.6667 Remote Similarity NPC50368
0.6667 Remote Similarity NPC219444
0.6667 Remote Similarity NPC470699
0.6667 Remote Similarity NPC183181
0.6667 Remote Similarity NPC41706
0.6667 Remote Similarity NPC210355
0.6667 Remote Similarity NPC118787
0.6667 Remote Similarity NPC319625
0.6667 Remote Similarity NPC147821
0.6667 Remote Similarity NPC296202
0.6667 Remote Similarity NPC163332
0.6644 Remote Similarity NPC474850
0.6644 Remote Similarity NPC474851
0.6642 Remote Similarity NPC60962
0.6642 Remote Similarity NPC207613
0.6642 Remote Similarity NPC269843
0.6642 Remote Similarity NPC224814
0.6642 Remote Similarity NPC14007
0.6642 Remote Similarity NPC189844
0.6642 Remote Similarity NPC109083
0.6641 Remote Similarity NPC79844
0.6641 Remote Similarity NPC55300
0.664 Remote Similarity NPC232654
0.6638 Remote Similarity NPC157213
0.6619 Remote Similarity NPC226661
0.6619 Remote Similarity NPC72529
0.6618 Remote Similarity NPC317769
0.6618 Remote Similarity NPC84606
0.6618 Remote Similarity NPC31344
0.6614 Remote Similarity NPC473372
0.6594 Remote Similarity NPC181361
0.6594 Remote Similarity NPC134219
0.6594 Remote Similarity NPC110677
0.6593 Remote Similarity NPC262156
0.6593 Remote Similarity NPC113865
0.6593 Remote Similarity NPC38996
0.6593 Remote Similarity NPC160380
0.6593 Remote Similarity NPC473853
0.6593 Remote Similarity NPC324571
0.6593 Remote Similarity NPC470212
0.6593 Remote Similarity NPC312675

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC191194 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
0.7522 Intermediate Similarity NPD9296 Approved
0.7288 Intermediate Similarity NPD291 Approved
0.7105 Intermediate Similarity NPD9365 Approved
0.7023 Intermediate Similarity NPD915 Approved
0.6774 Remote Similarity NPD968 Approved
0.6772 Remote Similarity NPD228 Approved
0.6746 Remote Similarity NPD556 Approved
0.6638 Remote Similarity NPD9295 Approved
0.65 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6496 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6489 Remote Similarity NPD9299 Approved
0.648 Remote Similarity NPD9501 Approved
0.6457 Remote Similarity NPD290 Approved
0.6457 Remote Similarity NPD9552 Approved
0.6434 Remote Similarity NPD1558 Phase 1
0.6429 Remote Similarity NPD1530 Clinical (unspecified phase)
0.641 Remote Similarity NPD9094 Approved
0.6319 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6319 Remote Similarity NPD1613 Approved
0.6279 Remote Similarity NPD2684 Approved
0.625 Remote Similarity NPD1797 Approved
0.625 Remote Similarity NPD1798 Approved
0.6235 Remote Similarity NPD4010 Discontinued
0.6224 Remote Similarity NPD3027 Phase 3
0.622 Remote Similarity NPD9244 Approved
0.6182 Remote Similarity NPD9087 Approved
0.6176 Remote Similarity NPD1548 Phase 1
0.6165 Remote Similarity NPD5283 Phase 1
0.6106 Remote Similarity NPD9088 Approved
0.6103 Remote Similarity NPD1408 Clinical (unspecified phase)
0.6103 Remote Similarity NPD1102 Approved
0.6103 Remote Similarity NPD1103 Approved
0.609 Remote Similarity NPD7843 Approved
0.6087 Remote Similarity NPD5846 Approved
0.6087 Remote Similarity NPD6516 Phase 2
0.6074 Remote Similarity NPD6671 Approved
0.6014 Remote Similarity NPD1357 Approved
0.6 Remote Similarity NPD1535 Discovery
0.6 Remote Similarity NPD1091 Approved
0.6 Remote Similarity NPD1610 Phase 2
0.5985 Remote Similarity NPD3022 Approved
0.5985 Remote Similarity NPD3021 Approved
0.5985 Remote Similarity NPD5536 Phase 2
0.5972 Remote Similarity NPD9494 Approved
0.5963 Remote Similarity NPD4288 Approved
0.5963 Remote Similarity NPD2296 Approved
0.5957 Remote Similarity NPD1481 Phase 2
0.5956 Remote Similarity NPD7157 Approved
0.5956 Remote Similarity NPD191 Approved
0.5944 Remote Similarity NPD1318 Phase 2
0.5944 Remote Similarity NPD3827 Clinical (unspecified phase)
0.5942 Remote Similarity NPD7534 Approved
0.5942 Remote Similarity NPD7533 Approved
0.5929 Remote Similarity NPD155 Clinical (unspecified phase)
0.5923 Remote Similarity NPD9697 Approved
0.5915 Remote Similarity NPD6583 Phase 3
0.5915 Remote Similarity NPD6582 Phase 2
0.5897 Remote Similarity NPD9089 Approved
0.5878 Remote Similarity NPD3619 Clinical (unspecified phase)
0.5878 Remote Similarity NPD3620 Phase 2
0.5878 Remote Similarity NPD4060 Phase 1
0.5862 Remote Similarity NPD2250 Discontinued
0.5852 Remote Similarity NPD5535 Approved
0.5852 Remote Similarity NPD821 Approved
0.585 Remote Similarity NPD3145 Approved
0.585 Remote Similarity NPD3144 Approved
0.584 Remote Similarity NPD2933 Approved
0.584 Remote Similarity NPD2934 Approved
0.5833 Remote Similarity NPD1203 Approved
0.5827 Remote Similarity NPD1894 Discontinued
0.5822 Remote Similarity NPD3537 Clinical (unspecified phase)
0.5822 Remote Similarity NPD5752 Clinical (unspecified phase)
0.5812 Remote Similarity NPD9093 Approved
0.5811 Remote Similarity NPD2674 Phase 3
0.5804 Remote Similarity NPD2983 Phase 2
0.5804 Remote Similarity NPD2982 Phase 2
0.5794 Remote Similarity NPD2860 Approved
0.5794 Remote Similarity NPD2859 Approved
0.5793 Remote Similarity NPD6584 Phase 3
0.5782 Remote Similarity NPD7095 Approved
0.5775 Remote Similarity NPD422 Phase 1
0.5764 Remote Similarity NPD3225 Approved
0.5753 Remote Similarity NPD2861 Phase 2
0.5753 Remote Similarity NPD5266 Clinical (unspecified phase)
0.5743 Remote Similarity NPD6798 Discontinued
0.5735 Remote Similarity NPD769 Approved
0.5734 Remote Similarity NPD2981 Phase 2
0.5734 Remote Similarity NPD1608 Approved
0.5734 Remote Similarity NPD2235 Phase 2
0.5734 Remote Similarity NPD2231 Phase 2
0.5733 Remote Similarity NPD447 Suspended
0.5732 Remote Similarity NPD1511 Approved
0.5724 Remote Similarity NPD2797 Approved
0.5724 Remote Similarity NPD9549 Phase 2
0.5714 Remote Similarity NPD1182 Approved
0.5714 Remote Similarity NPD4908 Phase 1
0.5714 Remote Similarity NPD1358 Approved
0.5705 Remote Similarity NPD3532 Approved
0.5705 Remote Similarity NPD6233 Phase 2
0.5705 Remote Similarity NPD3530 Approved
0.5705 Remote Similarity NPD4062 Phase 3
0.5705 Remote Similarity NPD3531 Approved
0.5704 Remote Similarity NPD2671 Approved
0.5704 Remote Similarity NPD2673 Approved
0.5696 Remote Similarity NPD1754 Clinical (unspecified phase)
0.5685 Remote Similarity NPD5647 Approved
0.5677 Remote Similarity NPD4162 Approved
0.5676 Remote Similarity NPD4625 Phase 3
0.5667 Remote Similarity NPD5837 Clinical (unspecified phase)
0.566 Remote Similarity NPD1512 Approved
0.5659 Remote Similarity NPD3020 Approved
0.5655 Remote Similarity NPD2922 Phase 1
0.5646 Remote Similarity NPD3018 Phase 2
0.5644 Remote Similarity NPD1934 Approved
0.5641 Remote Similarity NPD6331 Phase 2
0.5638 Remote Similarity NPD4907 Clinical (unspecified phase)
0.5634 Remote Similarity NPD2423 Clinical (unspecified phase)
0.563 Remote Similarity NPD5451 Approved
0.5629 Remote Similarity NPD1933 Approved
0.5629 Remote Similarity NPD4340 Discontinued
0.5629 Remote Similarity NPD6355 Discontinued
0.5621 Remote Similarity NPD1169 Approved
0.562 Remote Similarity NPD9073 Approved
0.562 Remote Similarity NPD111 Approved
0.5616 Remote Similarity NPD987 Approved
0.5615 Remote Similarity NPD1242 Phase 1
0.5612 Remote Similarity NPD709 Approved
0.5612 Remote Similarity NPD2557 Approved
0.561 Remote Similarity NPD2801 Approved
0.56 Remote Similarity NPD1726 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   44396194
ChEMBL   CHEMBL187472
ZINC  

Physicochemical Properties

Molecular Weight:  435.79
ALogP:  1.5917
MLogP:  2.12
XLogP:  4.06
# Rotatable Bonds:  7
Polar Surface Area:  49.69
# H-Bond Aceptor:  0
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  18

Download Data

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