Natural Product: NPC236265

Natural Product ID:  NPC236265
Common Name:   3',5',6',6-Tetrabromo-2,4-Dimethyldiphenyl Ether
IUPAC Name:   1,2,5-tribromo-3-(2-bromo-4,6-dimethylphenoxy)benzene
Synonyms:  
Molecular Formula:   C14H10Br4O
Standard InCHIKey:  XZBREBJETIKWQE-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C14H10Br4O/c1-7-3-8(2)14(11(17)4-7)19-12-6-9(15)5-10(16)13(12)18/h3-6H,1-2H3
Canonical SMILES:  Cc1cc(C)c(c(c1)Br)Oc1cc(Br)cc(c1Br)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
NPO21509 Laurencia similis Species Rhodomelaceae Eukaryota PMID[20961755]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens IC50 = 2.97 ug/ml 18177008

  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 NPC236265 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
0.7874 Intermediate Similarity NPC71186
0.7717 Intermediate Similarity NPC264379
0.7667 Intermediate Similarity NPC319933
0.7581 Intermediate Similarity NPC54543
0.7559 Intermediate Similarity NPC221301
0.752 Intermediate Similarity NPC473358
0.7518 Intermediate Similarity NPC11449
0.75 Intermediate Similarity NPC162294
0.7407 Intermediate Similarity NPC110131
0.7388 Intermediate Similarity NPC131940
0.7388 Intermediate Similarity NPC68350
0.7388 Intermediate Similarity NPC197576
0.7388 Intermediate Similarity NPC81149
0.7388 Intermediate Similarity NPC230013
0.7368 Intermediate Similarity NPC40302
0.7368 Intermediate Similarity NPC137922
0.736 Intermediate Similarity NPC471495
0.7344 Intermediate Similarity NPC471488
0.7333 Intermediate Similarity NPC272463
0.7313 Intermediate Similarity NPC97157
0.7313 Intermediate Similarity NPC159866
0.7313 Intermediate Similarity NPC116562
0.7313 Intermediate Similarity NPC295879
0.7313 Intermediate Similarity NPC175520
0.7313 Intermediate Similarity NPC64130
0.7313 Intermediate Similarity NPC25134
0.7299 Intermediate Similarity NPC78061
0.7299 Intermediate Similarity NPC159987
0.7299 Intermediate Similarity NPC122359
0.7273 Intermediate Similarity NPC271942
0.7259 Intermediate Similarity NPC105999
0.7241 Intermediate Similarity NPC474851
0.7241 Intermediate Similarity NPC474850
0.7239 Intermediate Similarity NPC88733
0.7239 Intermediate Similarity NPC173511
0.7239 Intermediate Similarity NPC474375
0.7226 Intermediate Similarity NPC475361
0.7218 Intermediate Similarity NPC63317
0.7218 Intermediate Similarity NPC41232
0.7209 Intermediate Similarity NPC33244
0.7206 Intermediate Similarity NPC213414
0.7174 Intermediate Similarity NPC13004
0.7171 Intermediate Similarity NPC135103
0.7164 Intermediate Similarity NPC299939
0.7164 Intermediate Similarity NPC471486
0.7164 Intermediate Similarity NPC153580
0.7164 Intermediate Similarity NPC170824
0.7164 Intermediate Similarity NPC47769
0.7164 Intermediate Similarity NPC196371
0.7164 Intermediate Similarity NPC226737
0.7154 Intermediate Similarity NPC94217
0.712 Intermediate Similarity NPC475269
0.7086 Intermediate Similarity NPC152947
0.708 Intermediate Similarity NPC163019
0.708 Intermediate Similarity NPC1744
0.7077 Intermediate Similarity NPC90903
0.7075 Intermediate Similarity NPC78530
0.7075 Intermediate Similarity NPC135349
0.7068 Intermediate Similarity NPC104124
0.7063 Intermediate Similarity NPC245386
0.7063 Intermediate Similarity NPC326801
0.7059 Intermediate Similarity NPC296202
0.7029 Intermediate Similarity NPC220311
0.7023 Intermediate Similarity NPC161696
0.7016 Intermediate Similarity NPC300166
0.7015 Intermediate Similarity NPC38483
0.7015 Intermediate Similarity NPC86007
0.7015 Intermediate Similarity NPC44270
0.7 Intermediate Similarity NPC281499
0.6985 Remote Similarity NPC7830
0.698 Remote Similarity NPC109346
0.6977 Remote Similarity NPC471487
0.6966 Remote Similarity NPC213471
0.695 Remote Similarity NPC478071
0.6947 Remote Similarity NPC35344
0.6947 Remote Similarity NPC141003
0.694 Remote Similarity NPC191194
0.6933 Remote Similarity NPC71629
0.6933 Remote Similarity NPC296085
0.6929 Remote Similarity NPC474147
0.6929 Remote Similarity NPC473708
0.6923 Remote Similarity NPC303011
0.6917 Remote Similarity NPC321956
0.6911 Remote Similarity NPC95755
0.6908 Remote Similarity NPC258222
0.6901 Remote Similarity NPC226493
0.6901 Remote Similarity NPC160081
0.6899 Remote Similarity NPC473372
0.6892 Remote Similarity NPC89341
0.6891 Remote Similarity NPC99886
0.6891 Remote Similarity NPC8002
0.6891 Remote Similarity NPC259134
0.6891 Remote Similarity NPC177844
0.6884 Remote Similarity NPC474169
0.6884 Remote Similarity NPC84606
0.6884 Remote Similarity NPC473572
0.6879 Remote Similarity NPC196034
0.6871 Remote Similarity NPC160932
0.6863 Remote Similarity NPC47672
0.6861 Remote Similarity NPC235166
0.6857 Remote Similarity NPC43706
0.6855 Remote Similarity NPC471576
0.6849 Remote Similarity NPC474673
0.6846 Remote Similarity NPC106141
0.6842 Remote Similarity NPC76412
0.6833 Remote Similarity NPC71853
0.6831 Remote Similarity NPC85049
0.6812 Remote Similarity NPC219444
0.6812 Remote Similarity NPC150026
0.6812 Remote Similarity NPC229213
0.6803 Remote Similarity NPC168680
0.68 Remote Similarity NPC107101
0.6797 Remote Similarity NPC113457
0.6794 Remote Similarity NPC470723
0.6783 Remote Similarity NPC178301
0.6779 Remote Similarity NPC118794
0.6772 Remote Similarity NPC241224
0.6772 Remote Similarity NPC38079
0.6772 Remote Similarity NPC108875
0.6765 Remote Similarity NPC172253
0.6765 Remote Similarity NPC59561
0.6759 Remote Similarity NPC303993
0.6759 Remote Similarity NPC244890
0.6757 Remote Similarity NPC81137
0.6753 Remote Similarity NPC7398
0.6746 Remote Similarity NPC307425
0.6746 Remote Similarity NPC51633
0.6741 Remote Similarity NPC25648
0.6741 Remote Similarity NPC183154
0.6741 Remote Similarity NPC263754
0.6733 Remote Similarity NPC470472
0.6731 Remote Similarity NPC233926
0.6731 Remote Similarity NPC156311
0.673 Remote Similarity NPC38980
0.6719 Remote Similarity NPC470393
0.6719 Remote Similarity NPC473855
0.6718 Remote Similarity NPC473809
0.6716 Remote Similarity NPC473718
0.6715 Remote Similarity NPC180207
0.6714 Remote Similarity NPC159132
0.6714 Remote Similarity NPC134195
0.6714 Remote Similarity NPC246648
0.6714 Remote Similarity NPC197351
0.6714 Remote Similarity NPC106914
0.6714 Remote Similarity NPC89630
0.6714 Remote Similarity NPC86502
0.6713 Remote Similarity NPC222684
0.6713 Remote Similarity NPC206183
0.6711 Remote Similarity NPC474128
0.671 Remote Similarity NPC235033
0.671 Remote Similarity NPC470710
0.671 Remote Similarity NPC73132
0.671 Remote Similarity NPC471235
0.6693 Remote Similarity NPC192596
0.6692 Remote Similarity NPC75440
0.6691 Remote Similarity NPC131118
0.6689 Remote Similarity NPC128877
0.6689 Remote Similarity NPC156356
0.6667 Remote Similarity NPC285040
0.6667 Remote Similarity NPC69539
0.6667 Remote Similarity NPC81641
0.6667 Remote Similarity NPC17809
0.6667 Remote Similarity NPC188022
0.6667 Remote Similarity NPC212559
0.6667 Remote Similarity NPC103420
0.6667 Remote Similarity NPC312105
0.6667 Remote Similarity NPC471581
0.6667 Remote Similarity NPC102540
0.6641 Remote Similarity NPC12987
0.6641 Remote Similarity NPC474272
0.6641 Remote Similarity NPC474603
0.6641 Remote Similarity NPC283546
0.6621 Remote Similarity NPC43613
0.662 Remote Similarity NPC134219
0.662 Remote Similarity NPC276212
0.6618 Remote Similarity NPC238176
0.6618 Remote Similarity NPC142042
0.6618 Remote Similarity NPC187993
0.6617 Remote Similarity NPC199462
0.6615 Remote Similarity NPC194034
0.661 Remote Similarity NPC125306
0.6604 Remote Similarity NPC474535
0.6599 Remote Similarity NPC470471
0.6599 Remote Similarity NPC312155
0.6597 Remote Similarity NPC99280
0.6594 Remote Similarity NPC258979
0.6594 Remote Similarity NPC93398
0.6594 Remote Similarity NPC8283
0.6593 Remote Similarity NPC283169
0.6591 Remote Similarity NPC475852
0.6589 Remote Similarity NPC139891
0.6589 Remote Similarity NPC128730
0.6589 Remote Similarity NPC8302
0.6589 Remote Similarity NPC473393
0.6587 Remote Similarity NPC100870
0.6575 Remote Similarity NPC300678
0.6573 Remote Similarity NPC98745
0.6573 Remote Similarity NPC149796
0.6571 Remote Similarity NPC248429
0.6571 Remote Similarity NPC36016

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC236265 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
0.6923 Remote Similarity NPD2296 Approved
0.687 Remote Similarity NPD5535 Approved
0.6716 Remote Similarity NPD2557 Approved
0.6692 Remote Similarity NPD2684 Approved
0.6667 Remote Similarity NPD968 Approved
0.6667 Remote Similarity NPD3596 Phase 2
0.6641 Remote Similarity NPD5451 Approved
0.6619 Remote Similarity NPD1611 Approved
0.6615 Remote Similarity NPD290 Approved
0.6604 Remote Similarity NPD4288 Approved
0.6589 Remote Similarity NPD9697 Approved
0.6569 Remote Similarity NPD1548 Phase 1
0.6569 Remote Similarity NPD6581 Approved
0.6569 Remote Similarity NPD6580 Approved
0.6567 Remote Similarity NPD592 Approved
0.6567 Remote Similarity NPD594 Approved
0.6522 Remote Similarity NPD3445 Approved
0.6522 Remote Similarity NPD3444 Approved
0.6522 Remote Similarity NPD3049 Approved
0.6522 Remote Similarity NPD6830 Clinical (unspecified phase)
0.6522 Remote Similarity NPD3443 Approved
0.65 Remote Similarity NPD1610 Phase 2
0.6493 Remote Similarity NPD7843 Approved
0.6471 Remote Similarity NPD6671 Approved
0.6471 Remote Similarity NPD6387 Discontinued
0.6449 Remote Similarity NPD2486 Discontinued
0.6444 Remote Similarity NPD1241 Discontinued
0.6444 Remote Similarity NPD5283 Phase 1
0.6438 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6408 Remote Similarity NPD3600 Clinical (unspecified phase)
0.6403 Remote Similarity NPD1651 Approved
0.6403 Remote Similarity NPD5691 Approved
0.637 Remote Similarity NPD821 Approved
0.6357 Remote Similarity NPD5846 Approved
0.6357 Remote Similarity NPD2554 Approved
0.6357 Remote Similarity NPD2556 Approved
0.6357 Remote Similarity NPD6516 Phase 2
0.6351 Remote Similarity NPD4060 Phase 1
0.635 Remote Similarity NPD7157 Approved
0.6331 Remote Similarity NPD1182 Approved
0.6312 Remote Similarity NPD3294 Phase 2
0.6301 Remote Similarity NPD4908 Phase 1
0.6296 Remote Similarity NPD1137 Approved
0.6296 Remote Similarity NPD1139 Approved
0.6294 Remote Similarity NPD5327 Phase 3
0.6294 Remote Similarity NPD6583 Phase 3
0.6294 Remote Similarity NPD6540 Phase 3
0.6294 Remote Similarity NPD6539 Approved
0.6294 Remote Similarity NPD6542 Approved
0.6294 Remote Similarity NPD6543 Approved
0.6294 Remote Similarity NPD6582 Phase 2
0.6288 Remote Similarity NPD3134 Approved
0.6276 Remote Similarity NPD3691 Phase 2
0.6276 Remote Similarity NPD3690 Phase 2
0.6268 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6268 Remote Similarity NPD422 Phase 1
0.6268 Remote Similarity NPD1281 Approved
0.6266 Remote Similarity NPD5586 Clinical (unspecified phase)
0.626 Remote Similarity NPD9244 Approved
0.6259 Remote Similarity NPD4625 Phase 3
0.625 Remote Similarity NPD8651 Approved
0.625 Remote Similarity NPD6541 Approved
0.625 Remote Similarity NPD6538 Approved
0.625 Remote Similarity NPD1138 Approved
0.6242 Remote Similarity NPD6225 Clinical (unspecified phase)
0.6241 Remote Similarity NPD17 Approved
0.6241 Remote Similarity NPD4626 Approved
0.6241 Remote Similarity NPD1358 Approved
0.6233 Remote Similarity NPD2861 Phase 2
0.6233 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6232 Remote Similarity NPD709 Approved
0.622 Remote Similarity NPD1809 Phase 2
0.622 Remote Similarity NPD2859 Approved
0.622 Remote Similarity NPD2860 Approved
0.6216 Remote Similarity NPD6798 Discontinued
0.6214 Remote Similarity NPD1894 Discontinued
0.6207 Remote Similarity NPD3266 Approved
0.6207 Remote Similarity NPD3267 Approved
0.6207 Remote Similarity NPD2797 Approved
0.619 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6184 Remote Similarity NPD2799 Discontinued
0.6181 Remote Similarity NPD2429 Approved
0.6181 Remote Similarity NPD2428 Approved
0.6181 Remote Similarity NPD1669 Approved
0.617 Remote Similarity NPD5585 Approved
0.6164 Remote Similarity NPD6584 Phase 3
0.6164 Remote Similarity NPD7018 Phase 2
0.6154 Remote Similarity NPD1535 Discovery
0.6144 Remote Similarity NPD4476 Approved
0.6144 Remote Similarity NPD4477 Approved
0.6142 Remote Similarity NPD2933 Approved
0.6142 Remote Similarity NPD2934 Approved
0.6138 Remote Similarity NPD1283 Approved
0.6131 Remote Similarity NPD2497 Approved
0.6131 Remote Similarity NPD2496 Approved
0.6111 Remote Similarity NPD1481 Phase 2
0.6111 Remote Similarity NPD1840 Phase 2
0.6111 Remote Similarity NPD1608 Approved
0.6107 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6107 Remote Similarity NPD6812 Clinical (unspecified phase)
0.6107 Remote Similarity NPD7294 Phase 1
0.6093 Remote Similarity NPD6355 Discontinued
0.6087 Remote Similarity NPD1398 Phase 1
0.6084 Remote Similarity NPD3847 Discontinued
0.6078 Remote Similarity NPD3846 Clinical (unspecified phase)
0.6077 Remote Similarity NPD3020 Approved
0.6069 Remote Similarity NPD4749 Approved
0.6067 Remote Similarity NPD4870 Approved
0.6063 Remote Similarity NPD845 Approved
0.6058 Remote Similarity NPD228 Approved
0.6056 Remote Similarity NPD6382 Discontinued
0.6056 Remote Similarity NPD2594 Approved
0.6056 Remote Similarity NPD2595 Approved
0.604 Remote Similarity NPD7095 Approved
0.6034 Remote Similarity NPD3269 Clinical (unspecified phase)
0.6028 Remote Similarity NPD5536 Phase 2
0.6027 Remote Similarity NPD3225 Approved
0.6027 Remote Similarity NPD6696 Suspended
0.6027 Remote Similarity NPD7258 Clinical (unspecified phase)
0.6026 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6026 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6026 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6026 Remote Similarity NPD1613 Approved
0.6014 Remote Similarity NPD1778 Approved
0.6014 Remote Similarity NPD2667 Approved
0.6014 Remote Similarity NPD2107 Clinical (unspecified phase)
0.6014 Remote Similarity NPD2668 Approved
0.6014 Remote Similarity NPD2423 Clinical (unspecified phase)
0.6013 Remote Similarity NPD4538 Approved
0.6013 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6013 Remote Similarity NPD4536 Approved
0.6011 Remote Similarity NPD4287 Approved
0.6 Remote Similarity NPD2313 Discontinued
0.6 Remote Similarity NPD3972 Approved
0.6 Remote Similarity NPD3337 Discontinued
0.6 Remote Similarity NPD1244 Clinical (unspecified phase)
0.6 Remote Similarity NPD3268 Approved
0.5986 Remote Similarity NPD4098 Discontinued
0.5986 Remote Similarity NPD1203 Approved
0.5977 Remote Similarity NPD1298 Discontinued
0.5974 Remote Similarity NPD1169 Approved
0.5974 Remote Similarity NPD6029 Clinical (unspecified phase)
0.5974 Remote Similarity NPD6028 Clinical (unspecified phase)
0.5973 Remote Similarity NPD1008 Clinical (unspecified phase)
0.5973 Remote Similarity NPD6832 Phase 2
0.5973 Remote Similarity NPD5752 Clinical (unspecified phase)
0.5972 Remote Similarity NPD3496 Discontinued
0.596 Remote Similarity NPD7265 Discontinued
0.596 Remote Similarity NPD8032 Phase 2
0.596 Remote Similarity NPD7477 Discontinued
0.5959 Remote Similarity NPD3685 Discontinued
0.5959 Remote Similarity NPD4359 Approved
0.5959 Remote Similarity NPD4129 Approved
0.5957 Remote Similarity NPD7340 Approved
0.5948 Remote Similarity NPD2157 Approved
0.5943 Remote Similarity NPD2802 Phase 3
0.5935 Remote Similarity NPD111 Approved
0.5935 Remote Similarity NPD2796 Approved
0.5933 Remote Similarity NPD6179 Discontinued
0.5933 Remote Similarity NPD5163 Phase 2
0.5933 Remote Similarity NPD9718 Approved
0.5931 Remote Similarity NPD776 Approved
0.5931 Remote Similarity NPD1091 Approved
0.5929 Remote Similarity NPD593 Approved
0.5929 Remote Similarity NPD595 Approved
0.5924 Remote Similarity NPD1243 Approved
0.5921 Remote Similarity NPD3597 Clinical (unspecified phase)
0.5921 Remote Similarity NPD5837 Clinical (unspecified phase)
0.5921 Remote Similarity NPD4307 Phase 2
0.5921 Remote Similarity NPD4140 Approved
0.5921 Remote Similarity NPD2979 Phase 3
0.5918 Remote Similarity NPD1876 Approved
0.5915 Remote Similarity NPD7644 Approved
0.5912 Remote Similarity NPD6667 Approved
0.5912 Remote Similarity NPD6666 Approved
0.5909 Remote Similarity NPD7097 Phase 1
0.5909 Remote Similarity NPD3028 Approved
0.5906 Remote Similarity NPD9365 Approved
0.5906 Remote Similarity NPD4993 Discontinued
0.5906 Remote Similarity NPD3018 Phase 2
0.5901 Remote Similarity NPD2184 Approved
0.5901 Remote Similarity NPD2183 Approved
0.5897 Remote Similarity NPD2344 Approved
0.5897 Remote Similarity NPD5085 Clinical (unspecified phase)
0.5894 Remote Similarity NPD1296 Phase 2
0.5894 Remote Similarity NPD3374 Clinical (unspecified phase)
0.5894 Remote Similarity NPD6410 Clinical (unspecified phase)
0.5891 Remote Similarity NPD1432 Clinical (unspecified phase)
0.589 Remote Similarity NPD9717 Approved
0.5882 Remote Similarity NPD4618 Approved
0.5882 Remote Similarity NPD5735 Approved
0.5882 Remote Similarity NPD4622 Approved
0.5878 Remote Similarity NPD3567 Approved
0.5878 Remote Similarity NPD987 Approved
0.5878 Remote Similarity NPD3568 Approved
0.5878 Remote Similarity NPD1232 Clinical (unspecified phase)
0.5871 Remote Similarity NPD5588 Approved
0.5871 Remote Similarity NPD5960 Phase 3
0.5871 Remote Similarity NPD3748 Approved
0.5865 Remote Similarity NPD940 Approved

Structure

External Identifiers

PubChem CID   50908842
ChEMBL   CHEMBL1288861
ZINC  

Physicochemical Properties

Molecular Weight:  509.75
ALogP:  4.6851
MLogP:  2.45
XLogP:  6.855
# Rotatable Bonds:  8
Polar Surface Area:  9.23
# H-Bond Aceptor:  0
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  19

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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