Natural Product: NPC322888

Natural Product ID:  NPC322888
Common Name:   2,4-Dichlorophenol
IUPAC Name:   2,4-dichlorophenol
Synonyms:   2,4-Dichlorophenol
Molecular Formula:   C6H4Cl2O
Standard InCHIKey:  HFZWRUODUSTPEG-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
Canonical SMILES:  Clc1ccc(c(c1)Cl)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
NPO1797 Homo sapiens Species Hominidae Eukaryota urine Report on Human Biomonitoring of Environmental Chemicals in Canada (2010). ISBN 978-1-100-15618-7. Cat no. H128-1/10-601E

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT79 Organism Bacillus subtilis Bacillus subtilis IC50 = 242000 nM 6802973
NPT210 Individual Protein Thyroid stimulating hormone receptor Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT347 Cell Line Lymphoblastoid cells Homo sapiens Potency = 7.9 nM PubChem BioAssay data set
NPT149 Individual Protein Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 10000 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 66824.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 30661.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 68032 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 30388.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 27306 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 48595 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1934.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 48966.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61644.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54482.7 nM PubChem BioAssay data set

  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 NPC322888 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
0.9186 High Similarity NPC38459
0.9111 High Similarity NPC174048
0.875 High Similarity NPC33756
0.7907 Intermediate Similarity NPC100980
0.7895 Intermediate Similarity NPC63479
0.787 Intermediate Similarity NPC244403
0.7685 Intermediate Similarity NPC91452
0.7611 Intermediate Similarity NPC205213
0.757 Intermediate Similarity NPC43411
0.7556 Intermediate Similarity NPC65517
0.7547 Intermediate Similarity NPC146096
0.7544 Intermediate Similarity NPC42644
0.7383 Intermediate Similarity NPC187958
0.735 Intermediate Similarity NPC235370
0.7345 Intermediate Similarity NPC204617
0.7312 Intermediate Similarity NPC204932
0.7234 Intermediate Similarity NPC270094
0.7227 Intermediate Similarity NPC8058
0.7128 Intermediate Similarity NPC4154
0.7105 Intermediate Similarity NPC161768
0.7079 Intermediate Similarity NPC215445
0.7049 Intermediate Similarity NPC246991
0.701 Intermediate Similarity NPC319826
0.701 Intermediate Similarity NPC124436
0.701 Intermediate Similarity NPC265146
0.6939 Remote Similarity NPC248817
0.6939 Remote Similarity NPC286904
0.6939 Remote Similarity NPC150837
0.6939 Remote Similarity NPC175313
0.6897 Remote Similarity NPC15350
0.688 Remote Similarity NPC139335
0.6869 Remote Similarity NPC197783
0.6869 Remote Similarity NPC155393
0.6818 Remote Similarity NPC175931
0.6809 Remote Similarity NPC322285
0.68 Remote Similarity NPC307235
0.68 Remote Similarity NPC23167
0.68 Remote Similarity NPC184169
0.68 Remote Similarity NPC407
0.68 Remote Similarity NPC280254
0.678 Remote Similarity NPC67791
0.6733 Remote Similarity NPC27974
0.6733 Remote Similarity NPC113460
0.6733 Remote Similarity NPC25493
0.6733 Remote Similarity NPC157213
0.6733 Remote Similarity NPC104216
0.67 Remote Similarity NPC252149
0.6667 Remote Similarity NPC177420
0.6667 Remote Similarity NPC98772
0.6667 Remote Similarity NPC318325
0.6667 Remote Similarity NPC258219
0.6667 Remote Similarity NPC280347
0.6667 Remote Similarity NPC242240
0.6667 Remote Similarity NPC123273
0.6639 Remote Similarity NPC33402
0.6602 Remote Similarity NPC288923
0.6602 Remote Similarity NPC277758
0.6602 Remote Similarity NPC192
0.6602 Remote Similarity NPC312304
0.6602 Remote Similarity NPC151764
0.6602 Remote Similarity NPC300478
0.6602 Remote Similarity NPC55561
0.6602 Remote Similarity NPC47950
0.6602 Remote Similarity NPC300017
0.6569 Remote Similarity NPC19680
0.6538 Remote Similarity NPC155908
0.6538 Remote Similarity NPC231150
0.6538 Remote Similarity NPC45040
0.6538 Remote Similarity NPC204210
0.6538 Remote Similarity NPC304541
0.6538 Remote Similarity NPC270547
0.6538 Remote Similarity NPC306074
0.6495 Remote Similarity NPC124576
0.6484 Remote Similarity NPC76453
0.6476 Remote Similarity NPC147284
0.6476 Remote Similarity NPC3358
0.6476 Remote Similarity NPC271440
0.6476 Remote Similarity NPC55903
0.6476 Remote Similarity NPC29373
0.6476 Remote Similarity NPC94139
0.6476 Remote Similarity NPC210497
0.6476 Remote Similarity NPC181709
0.6476 Remote Similarity NPC306884
0.6476 Remote Similarity NPC325292
0.6476 Remote Similarity NPC162314
0.6476 Remote Similarity NPC138117
0.6415 Remote Similarity NPC32977
0.6415 Remote Similarity NPC114325
0.6415 Remote Similarity NPC316301
0.6415 Remote Similarity NPC128062
0.6415 Remote Similarity NPC152415
0.6415 Remote Similarity NPC245187
0.6415 Remote Similarity NPC27323
0.6415 Remote Similarity NPC81010
0.6415 Remote Similarity NPC151715
0.6415 Remote Similarity NPC76938
0.6415 Remote Similarity NPC16649
0.6395 Remote Similarity NPC119076
0.6378 Remote Similarity NPC185313
0.6355 Remote Similarity NPC246679
0.6355 Remote Similarity NPC313650
0.6355 Remote Similarity NPC286006
0.6355 Remote Similarity NPC274678
0.6355 Remote Similarity NPC26244
0.6355 Remote Similarity NPC32714
0.6355 Remote Similarity NPC8392
0.6355 Remote Similarity NPC257182
0.6355 Remote Similarity NPC107522
0.6349 Remote Similarity NPC26576
0.6346 Remote Similarity NPC70436
0.6343 Remote Similarity NPC131379
0.6328 Remote Similarity NPC30390
0.6328 Remote Similarity NPC48909
0.6321 Remote Similarity NPC295295
0.6296 Remote Similarity NPC202986
0.6296 Remote Similarity NPC259512
0.6296 Remote Similarity NPC283711
0.6296 Remote Similarity NPC473388
0.6296 Remote Similarity NPC312132
0.6296 Remote Similarity NPC82664
0.6296 Remote Similarity NPC216520
0.6296 Remote Similarity NPC292730
0.6296 Remote Similarity NPC132271
0.6279 Remote Similarity NPC193334
0.6262 Remote Similarity NPC289769
0.6239 Remote Similarity NPC152097
0.6239 Remote Similarity NPC88420
0.6239 Remote Similarity NPC6597
0.6239 Remote Similarity NPC475078
0.6239 Remote Similarity NPC260000
0.6239 Remote Similarity NPC201967
0.6239 Remote Similarity NPC156313
0.6239 Remote Similarity NPC291789
0.6239 Remote Similarity NPC79241
0.6239 Remote Similarity NPC107619
0.6239 Remote Similarity NPC474073
0.6239 Remote Similarity NPC77492
0.6239 Remote Similarity NPC109955
0.6239 Remote Similarity NPC32674
0.6239 Remote Similarity NPC315921
0.6239 Remote Similarity NPC225464
0.6204 Remote Similarity NPC222146
0.6182 Remote Similarity NPC260775
0.6182 Remote Similarity NPC299762
0.6182 Remote Similarity NPC245561
0.6182 Remote Similarity NPC128723
0.6182 Remote Similarity NPC92730
0.6182 Remote Similarity NPC132078
0.6182 Remote Similarity NPC280869
0.6182 Remote Similarity NPC122005
0.6182 Remote Similarity NPC80027
0.6182 Remote Similarity NPC131587
0.6182 Remote Similarity NPC33675
0.6182 Remote Similarity NPC307039
0.6182 Remote Similarity NPC252821
0.6182 Remote Similarity NPC314803
0.6182 Remote Similarity NPC130193
0.6182 Remote Similarity NPC275104
0.6182 Remote Similarity NPC78119
0.6182 Remote Similarity NPC171843
0.6182 Remote Similarity NPC216468
0.6182 Remote Similarity NPC125732
0.6182 Remote Similarity NPC51333
0.6176 Remote Similarity NPC125306
0.6176 Remote Similarity NPC23837
0.6132 Remote Similarity NPC318429
0.6126 Remote Similarity NPC48730
0.6126 Remote Similarity NPC130756
0.6126 Remote Similarity NPC289381
0.6126 Remote Similarity NPC52472
0.6126 Remote Similarity NPC213730
0.6126 Remote Similarity NPC161571
0.6126 Remote Similarity NPC253746
0.6126 Remote Similarity NPC130103
0.6126 Remote Similarity NPC10588
0.6126 Remote Similarity NPC12931
0.6126 Remote Similarity NPC248573
0.6126 Remote Similarity NPC29601
0.6126 Remote Similarity NPC174911
0.6126 Remote Similarity NPC72729
0.6126 Remote Similarity NPC129373
0.6126 Remote Similarity NPC225506
0.6126 Remote Similarity NPC223393
0.6126 Remote Similarity NPC248396
0.6126 Remote Similarity NPC294741
0.6126 Remote Similarity NPC155847
0.6126 Remote Similarity NPC70201
0.6126 Remote Similarity NPC275053
0.6126 Remote Similarity NPC166761
0.6126 Remote Similarity NPC70677
0.6121 Remote Similarity NPC216122
0.608 Remote Similarity NPC90577
0.6071 Remote Similarity NPC101025
0.6071 Remote Similarity NPC472585
0.6071 Remote Similarity NPC91461
0.6071 Remote Similarity NPC100340
0.6071 Remote Similarity NPC94343
0.6071 Remote Similarity NPC7686
0.6071 Remote Similarity NPC471578
0.6071 Remote Similarity NPC80800

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC322888 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
0.9186 High Similarity NPD9073 Approved
0.7907 Intermediate Similarity NPD9087 Approved
0.7778 Intermediate Similarity NPD911 Approved
0.7611 Intermediate Similarity NPD915 Approved
0.7556 Intermediate Similarity NPD9088 Approved
0.7404 Intermediate Similarity NPD9500 Approved
0.7315 Intermediate Similarity NPD910 Approved
0.7234 Intermediate Similarity NPD9089 Approved
0.717 Intermediate Similarity NPD9501 Approved
0.7143 Intermediate Similarity NPD1476 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD9552 Approved
0.7128 Intermediate Similarity NPD9093 Approved
0.7034 Intermediate Similarity NPD1157 Approved
0.703 Intermediate Similarity NPD9251 Approved
0.701 Intermediate Similarity NPD111 Approved
0.693 Remote Similarity NPD9685 Approved
0.6923 Remote Similarity NPD1010 Approved
0.68 Remote Similarity NPD9094 Approved
0.678 Remote Similarity NPD4589 Approved
0.6733 Remote Similarity NPD9295 Approved
0.6562 Remote Similarity NPD1184 Approved
0.6496 Remote Similarity NPD191 Approved
0.6415 Remote Similarity NPD2934 Approved
0.6415 Remote Similarity NPD9296 Approved
0.6415 Remote Similarity NPD1432 Clinical (unspecified phase)
0.6415 Remote Similarity NPD2933 Approved
0.6379 Remote Similarity NPD769 Approved
0.6355 Remote Similarity NPD844 Approved
0.6355 Remote Similarity NPD2859 Approved
0.6355 Remote Similarity NPD2860 Approved
0.6321 Remote Similarity NPD845 Approved
0.6296 Remote Similarity NPD288 Approved
0.6273 Remote Similarity NPD1616 Discontinued
0.625 Remote Similarity NPD9249 Phase 1
0.6239 Remote Similarity NPD68 Approved
0.6239 Remote Similarity NPD9096 Approved
0.6239 Remote Similarity NPD9095 Approved
0.6239 Remote Similarity NPD9097 Approved
0.6239 Remote Similarity NPD9273 Approved
0.622 Remote Similarity NPD454 Approved
0.6182 Remote Similarity NPD3020 Approved
0.6132 Remote Similarity NPD9365 Approved
0.6126 Remote Similarity NPD1242 Phase 1
0.6126 Remote Similarity NPD289 Clinical (unspecified phase)
0.6071 Remote Similarity NPD1159 Approved
0.6071 Remote Similarity NPD940 Approved
0.6071 Remote Similarity NPD846 Approved
0.6055 Remote Similarity NPD1809 Phase 2
0.602 Remote Similarity NPD9294 Approved
0.5985 Remote Similarity NPD1555 Discontinued
0.5965 Remote Similarity NPD9610 Approved
0.5965 Remote Similarity NPD9608 Approved
0.5948 Remote Similarity NPD9532 Phase 3
0.5878 Remote Similarity NPD2372 Approved
0.5874 Remote Similarity NPD2370 Clinical (unspecified phase)
0.5862 Remote Similarity NPD1444 Approved
0.5862 Remote Similarity NPD968 Approved
0.5862 Remote Similarity NPD1445 Approved
0.5812 Remote Similarity NPD9265 Clinical (unspecified phase)
0.5812 Remote Similarity NPD9507 Approved
0.5789 Remote Similarity NPD829 Discontinued
0.5789 Remote Similarity NPD9721 Approved
0.5789 Remote Similarity NPD9722 Approved
0.5789 Remote Similarity NPD291 Approved
0.5763 Remote Similarity NPD74 Approved
0.5763 Remote Similarity NPD9266 Approved
0.575 Remote Similarity NPD2499 Approved
0.575 Remote Similarity NPD2500 Approved
0.5714 Remote Similarity NPD9380 Clinical (unspecified phase)
0.5714 Remote Similarity NPD3022 Approved
0.5714 Remote Similarity NPD1792 Phase 2
0.5714 Remote Similarity NPD5451 Approved
0.5714 Remote Similarity NPD3021 Approved
0.5692 Remote Similarity NPD9549 Phase 2
0.5685 Remote Similarity NPD1714 Approved
0.5685 Remote Similarity NPD1715 Phase 1
0.5678 Remote Similarity NPD2342 Discontinued
0.5678 Remote Similarity NPD9267 Approved
0.5678 Remote Similarity NPD9263 Approved
0.5678 Remote Similarity NPD9264 Approved
0.5667 Remote Similarity NPD9376 Approved
0.5667 Remote Similarity NPD9280 Clinical (unspecified phase)
0.5645 Remote Similarity NPD694 Clinical (unspecified phase)
0.5643 Remote Similarity NPD1338 Clinical (unspecified phase)
0.5625 Remote Similarity NPD3364 Phase 3
0.562 Remote Similarity NPD228 Approved
0.562 Remote Similarity NPD4978 Clinical (unspecified phase)
0.5612 Remote Similarity NPD470 Approved
0.5612 Remote Similarity NPD469 Approved
0.5606 Remote Similarity NPD1285 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   8449
ChEMBL   CHEMBL1143
ZINC  

Physicochemical Properties

Molecular Weight:  161.96
ALogP:  1.0283
MLogP:  1.79
XLogP:  2.025
# Rotatable Bonds:  3
Polar Surface Area:  20.23
# H-Bond Aceptor:  0
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  9

Download Data

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