Natural Product: NPC178301

Natural Product ID:  NPC178301
Common Name:   3,4,5-Tribromo-2-(2,4-Dibromophenoxy)-6-Methoxyphenol
IUPAC Name:   3,4,5-tribromo-2-(2,4-dibromophenoxy)-6-methoxyphenol
Synonyms:  
Molecular Formula:   C13H7Br5O3
Standard InCHIKey:  QHLGNSNAZCEPSX-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C13H7Br5O3/c1-20-12-9(17)8(16)10(18)13(11(12)19)21-7-3-2-5(14)4-6(7)15/h2-4,19H,1H3
Canonical SMILES:  COc1c(O)c(Oc2ccc(cc2Br)Br)c(c(c1Br)Br)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
NPO32617 dysidea sp. Species Dysideidae Eukaryota PMID[18198840]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT447 Organism Streptomyces Streptomyces IZ = 11 mm 12109913
NPT447 Organism Streptomyces Streptomyces IZ = 12 mm 12749893
NPT447 Organism Streptomyces Streptomyces IZ = 12 mm 22742732
NPT83 Cell Line MCF7 Homo sapiens IC50 = 8690 nM DrugMatrix in vivo data: Pathology
NPT447 Organism Streptomyces Streptomyces IZ = 10 mm 14640526

  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 NPC178301 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
0.96 High Similarity NPC222684
0.96 High Similarity NPC206183
0.936 High Similarity NPC45728
0.9268 High Similarity NPC173511
0.9268 High Similarity NPC88733
0.92 High Similarity NPC163019
0.92 High Similarity NPC1744
0.9187 High Similarity NPC226737
0.9187 High Similarity NPC153580
0.9187 High Similarity NPC299939
0.912 High Similarity NPC197576
0.912 High Similarity NPC81149
0.912 High Similarity NPC230013
0.912 High Similarity NPC68350
0.912 High Similarity NPC131940
0.9106 High Similarity NPC63317
0.9106 High Similarity NPC41232
0.904 High Similarity NPC25134
0.904 High Similarity NPC295879
0.904 High Similarity NPC175520
0.904 High Similarity NPC159866
0.904 High Similarity NPC64130
0.904 High Similarity NPC97157
0.9032 High Similarity NPC170824
0.9024 High Similarity NPC44270
0.9024 High Similarity NPC86007
0.896 High Similarity NPC40302
0.896 High Similarity NPC137922
0.896 High Similarity NPC474375
0.896 High Similarity NPC235166
0.8943 High Similarity NPC191194
0.8943 High Similarity NPC104124
0.888 High Similarity NPC47769
0.888 High Similarity NPC196371
0.8686 High Similarity NPC8577
0.8629 High Similarity NPC264379
0.8548 High Similarity NPC162294
0.8492 Intermediate Similarity NPC71186
0.8468 Intermediate Similarity NPC221301
0.7902 Intermediate Similarity NPC286337
0.7742 Intermediate Similarity NPC307875
0.7724 Intermediate Similarity NPC319933
0.7718 Intermediate Similarity NPC152947
0.748 Intermediate Similarity NPC124712
0.7444 Intermediate Similarity NPC151617
0.7444 Intermediate Similarity NPC76915
0.7361 Intermediate Similarity NPC245386
0.7333 Intermediate Similarity NPC214289
0.7329 Intermediate Similarity NPC271942
0.7299 Intermediate Similarity NPC145780
0.7266 Intermediate Similarity NPC232654
0.7234 Intermediate Similarity NPC210355
0.7226 Intermediate Similarity NPC205850
0.7203 Intermediate Similarity NPC226493
0.7203 Intermediate Similarity NPC160081
0.72 Intermediate Similarity NPC314803
0.7153 Intermediate Similarity NPC232084
0.7153 Intermediate Similarity NPC247364
0.7153 Intermediate Similarity NPC61516
0.7153 Intermediate Similarity NPC10932
0.7143 Intermediate Similarity NPC228972
0.7143 Intermediate Similarity NPC122792
0.7143 Intermediate Similarity NPC221090
0.7133 Intermediate Similarity NPC85049
0.7122 Intermediate Similarity NPC126216
0.7122 Intermediate Similarity NPC71579
0.7122 Intermediate Similarity NPC473411
0.7122 Intermediate Similarity NPC228875
0.7122 Intermediate Similarity NPC105147
0.7122 Intermediate Similarity NPC262253
0.7113 Intermediate Similarity NPC216836
0.7083 Intermediate Similarity NPC472338
0.708 Intermediate Similarity NPC226629
0.7071 Intermediate Similarity NPC192810
0.7071 Intermediate Similarity NPC95168
0.7067 Intermediate Similarity NPC89341
0.7059 Intermediate Similarity NPC259638
0.7055 Intermediate Similarity NPC244890
0.7047 Intermediate Similarity NPC160932
0.7034 Intermediate Similarity NPC472597
0.7021 Intermediate Similarity NPC5796
0.7021 Intermediate Similarity NPC206487
0.7016 Intermediate Similarity NPC16649
0.7016 Intermediate Similarity NPC114325
0.7014 Intermediate Similarity NPC45824
0.7 Intermediate Similarity NPC41562
0.7 Intermediate Similarity NPC152722
0.7 Intermediate Similarity NPC473653
0.6993 Remote Similarity NPC470699
0.6993 Remote Similarity NPC37074
0.6986 Remote Similarity NPC184447
0.6986 Remote Similarity NPC35932
0.6986 Remote Similarity NPC202762
0.6986 Remote Similarity NPC86655
0.6986 Remote Similarity NPC7903
0.6986 Remote Similarity NPC16208
0.6986 Remote Similarity NPC160991
0.6986 Remote Similarity NPC303011
0.6986 Remote Similarity NPC161203
0.6985 Remote Similarity NPC193067
0.6978 Remote Similarity NPC166759
0.6972 Remote Similarity NPC475169
0.6972 Remote Similarity NPC60885
0.6972 Remote Similarity NPC193544
0.6972 Remote Similarity NPC57490
0.6972 Remote Similarity NPC298757
0.6972 Remote Similarity NPC17943
0.6972 Remote Similarity NPC203133
0.6972 Remote Similarity NPC251855
0.6972 Remote Similarity NPC221077
0.6972 Remote Similarity NPC233410
0.6972 Remote Similarity NPC208950
0.6972 Remote Similarity NPC234400
0.6972 Remote Similarity NPC472093
0.6972 Remote Similarity NPC82483
0.6972 Remote Similarity NPC117214
0.6972 Remote Similarity NPC299584
0.6972 Remote Similarity NPC116907
0.6972 Remote Similarity NPC265483
0.6966 Remote Similarity NPC91291
0.6966 Remote Similarity NPC214860
0.6957 Remote Similarity NPC20674
0.695 Remote Similarity NPC473572
0.695 Remote Similarity NPC228922
0.695 Remote Similarity NPC474169
0.695 Remote Similarity NPC121115
0.695 Remote Similarity NPC197757
0.6944 Remote Similarity NPC63179
0.6939 Remote Similarity NPC229442
0.6939 Remote Similarity NPC168059
0.6939 Remote Similarity NPC37196
0.6939 Remote Similarity NPC475840
0.6939 Remote Similarity NPC94236
0.6939 Remote Similarity NPC36661
0.6937 Remote Similarity NPC475697
0.6934 Remote Similarity NPC9248
0.6929 Remote Similarity NPC75713
0.6928 Remote Similarity NPC109346
0.6923 Remote Similarity NPC28730
0.6923 Remote Similarity NPC189589
0.6923 Remote Similarity NPC214406
0.6923 Remote Similarity NPC469622
0.6923 Remote Similarity NPC110677
0.6923 Remote Similarity NPC78974
0.6923 Remote Similarity NPC18924
0.6923 Remote Similarity NPC44748
0.6923 Remote Similarity NPC223136
0.6923 Remote Similarity NPC298845
0.6923 Remote Similarity NPC103823
0.6923 Remote Similarity NPC181361
0.6917 Remote Similarity NPC247871
0.6906 Remote Similarity NPC474565
0.6906 Remote Similarity NPC229401
0.6897 Remote Similarity NPC273295
0.6897 Remote Similarity NPC3439
0.6897 Remote Similarity NPC470258
0.6897 Remote Similarity NPC285339
0.6897 Remote Similarity NPC222004
0.6897 Remote Similarity NPC190629
0.6897 Remote Similarity NPC210623
0.6897 Remote Similarity NPC202582
0.6897 Remote Similarity NPC218856
0.6897 Remote Similarity NPC226788
0.6892 Remote Similarity NPC106215
0.6892 Remote Similarity NPC111635
0.6892 Remote Similarity NPC317380
0.6892 Remote Similarity NPC170694
0.6892 Remote Similarity NPC310854
0.688 Remote Similarity NPC475466
0.6879 Remote Similarity NPC229213
0.6875 Remote Similarity NPC236791
0.6875 Remote Similarity NPC74817
0.6875 Remote Similarity NPC293054
0.6875 Remote Similarity NPC236760
0.6875 Remote Similarity NPC124452
0.6875 Remote Similarity NPC474119
0.6875 Remote Similarity NPC159968
0.6875 Remote Similarity NPC282000
0.6875 Remote Similarity NPC127587
0.6875 Remote Similarity NPC266555
0.6875 Remote Similarity NPC82679
0.6875 Remote Similarity NPC324112
0.6875 Remote Similarity NPC246620
0.6875 Remote Similarity NPC169474
0.6875 Remote Similarity NPC50368
0.6875 Remote Similarity NPC474535
0.6871 Remote Similarity NPC470752
0.6871 Remote Similarity NPC127624
0.6866 Remote Similarity NPC255068
0.6857 Remote Similarity NPC276195
0.6849 Remote Similarity NPC229231
0.6846 Remote Similarity NPC112939
0.6846 Remote Similarity NPC470356
0.6846 Remote Similarity NPC94750
0.6846 Remote Similarity NPC112246
0.6846 Remote Similarity NPC474206
0.6846 Remote Similarity NPC121812
0.6846 Remote Similarity NPC134968
0.6846 Remote Similarity NPC201357
0.6846 Remote Similarity NPC472337

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC178301 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
0.7016 Intermediate Similarity NPD9296 Approved
0.6953 Remote Similarity NPD291 Approved
0.6828 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6781 Remote Similarity NPD3027 Phase 3
0.6759 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6757 Remote Similarity NPD1613 Approved
0.6757 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6691 Remote Similarity NPD1408 Clinical (unspecified phase)
0.6667 Remote Similarity NPD9094 Approved
0.6643 Remote Similarity NPD1548 Phase 1
0.6525 Remote Similarity NPD7534 Approved
0.6525 Remote Similarity NPD7533 Approved
0.6508 Remote Similarity NPD9365 Approved
0.6471 Remote Similarity NPD556 Approved
0.6458 Remote Similarity NPD1610 Phase 2
0.6389 Remote Similarity NPD915 Approved
0.6377 Remote Similarity NPD228 Approved
0.6376 Remote Similarity NPD3537 Clinical (unspecified phase)
0.637 Remote Similarity NPD2982 Phase 2
0.637 Remote Similarity NPD2983 Phase 2
0.6316 Remote Similarity NPD1558 Phase 1
0.6301 Remote Similarity NPD2981 Phase 2
0.6267 Remote Similarity NPD4908 Phase 1
0.6265 Remote Similarity NPD4288 Approved
0.625 Remote Similarity NPD968 Approved
0.6233 Remote Similarity NPD422 Phase 1
0.622 Remote Similarity NPD9295 Approved
0.6204 Remote Similarity NPD290 Approved
0.62 Remote Similarity NPD3018 Phase 2
0.6184 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6179 Remote Similarity NPD9089 Approved
0.6149 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6145 Remote Similarity NPD1934 Approved
0.6127 Remote Similarity NPD9299 Approved
0.6122 Remote Similarity NPD1091 Approved
0.6118 Remote Similarity NPD4625 Phase 3
0.6108 Remote Similarity NPD2801 Approved
0.6098 Remote Similarity NPD9093 Approved
0.6087 Remote Similarity NPD9552 Approved
0.6074 Remote Similarity NPD2183 Approved
0.6074 Remote Similarity NPD2184 Approved
0.6049 Remote Similarity NPD1511 Approved
0.604 Remote Similarity NPD4749 Approved
0.6036 Remote Similarity NPD3882 Suspended
0.6 Remote Similarity NPD1653 Approved
0.5985 Remote Similarity NPD9501 Approved
0.5985 Remote Similarity NPD9244 Approved
0.5976 Remote Similarity NPD1512 Approved
0.5974 Remote Similarity NPD6859 Clinical (unspecified phase)
0.5954 Remote Similarity NPD4010 Discontinued
0.5929 Remote Similarity NPD2684 Approved
0.5928 Remote Similarity NPD4675 Approved
0.5928 Remote Similarity NPD4678 Approved
0.5918 Remote Similarity NPD1797 Approved
0.5918 Remote Similarity NPD1798 Approved
0.5917 Remote Similarity NPD2393 Clinical (unspecified phase)
0.5912 Remote Similarity NPD3454 Phase 3
0.5902 Remote Similarity NPD4287 Approved
0.5882 Remote Similarity NPD1242 Phase 1
0.5871 Remote Similarity NPD6410 Clinical (unspecified phase)
0.5854 Remote Similarity NPD4357 Discontinued
0.5833 Remote Similarity NPD5283 Phase 1
0.582 Remote Similarity NPD8095 Phase 1
0.5813 Remote Similarity NPD1551 Phase 2
0.5796 Remote Similarity NPD1240 Approved
0.5795 Remote Similarity NPD6166 Phase 2
0.5795 Remote Similarity NPD6167 Clinical (unspecified phase)
0.5795 Remote Similarity NPD6168 Clinical (unspecified phase)
0.5789 Remote Similarity NPD2296 Approved
0.5782 Remote Similarity NPD1102 Approved
0.5782 Remote Similarity NPD1103 Approved
0.5776 Remote Similarity NPD1550 Clinical (unspecified phase)
0.5776 Remote Similarity NPD1552 Clinical (unspecified phase)
0.5776 Remote Similarity NPD3540 Phase 1
0.5764 Remote Similarity NPD7843 Approved
0.5756 Remote Similarity NPD4868 Clinical (unspecified phase)
0.5752 Remote Similarity NPD3827 Clinical (unspecified phase)
0.5741 Remote Similarity NPD1549 Phase 2
0.5731 Remote Similarity NPD1465 Phase 2
0.5723 Remote Similarity NPD1607 Approved
0.5714 Remote Similarity NPD3539 Phase 1
0.5714 Remote Similarity NPD1469 Clinical (unspecified phase)
0.5706 Remote Similarity NPD1652 Phase 2
0.5705 Remote Similarity NPD1357 Approved
0.5698 Remote Similarity NPD3817 Phase 2
0.5698 Remote Similarity NPD7054 Approved
0.569 Remote Similarity NPD6234 Discontinued
0.5686 Remote Similarity NPD3225 Approved
0.5677 Remote Similarity NPD9494 Approved
0.5677 Remote Similarity NPD2861 Phase 2
0.5676 Remote Similarity NPD5536 Phase 2
0.5667 Remote Similarity NPD7074 Phase 3
0.5667 Remote Similarity NPD5846 Approved
0.5667 Remote Similarity NPD6516 Phase 2
0.5667 Remote Similarity NPD7472 Approved
0.5663 Remote Similarity NPD7212 Phase 2
0.5663 Remote Similarity NPD6799 Approved
0.5663 Remote Similarity NPD7213 Phase 3
0.566 Remote Similarity NPD230 Phase 1
0.5658 Remote Similarity NPD1608 Approved
0.5646 Remote Similarity NPD7157 Approved
0.5646 Remote Similarity NPD191 Approved
0.5646 Remote Similarity NPD6671 Approved
0.5642 Remote Similarity NPD3818 Discontinued
0.5636 Remote Similarity NPD5307 Clinical (unspecified phase)
0.5629 Remote Similarity NPD4123 Phase 3
0.5629 Remote Similarity NPD4378 Clinical (unspecified phase)
0.5629 Remote Similarity NPD7447 Phase 1
0.5625 Remote Similarity NPD7199 Phase 2
0.5621 Remote Similarity NPD6582 Phase 2
0.5621 Remote Similarity NPD6583 Phase 3
0.5617 Remote Similarity NPD6099 Approved
0.5617 Remote Similarity NPD6100 Approved
0.5613 Remote Similarity NPD6917 Clinical (unspecified phase)
0.5612 Remote Similarity NPD846 Approved
0.5612 Remote Similarity NPD940 Approved

Structure

External Identifiers

PubChem CID   24799159
ChEMBL   CHEMBL256756
ZINC  

Physicochemical Properties

Molecular Weight:  605.63
ALogP:  3.7778
MLogP:  2.01
XLogP:  5.447
# Rotatable Bonds:  10
Polar Surface Area:  38.69
# H-Bond Aceptor:  0
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  21

Download Data

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Biological Activities  
Similar NPs/Drugs