Drug Information

Drug ID:  NPD1162
Drug Name:  Niclosamide
Molecular Formula:  C13H8Cl2N2O4
Canonical SMILES:  Clc1ccc(c(c1)C(=Nc1ccc(cc1Cl)N(=O)=O)O)O
Standard InCHI:  InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
Standard InCHIKey:  RJMUSRYZPJIFPJ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD1162

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
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
Intermediate Similarity 0.7273 NPC471785
Intermediate Similarity 0.7207 NPC232872
Remote Similarity 0.6981 NPC126637
Remote Similarity 0.6839 NPC238430
Remote Similarity 0.6813 NPC159589
Remote Similarity 0.6703 NPC295287
Remote Similarity 0.6621 NPC44836
Remote Similarity 0.649 NPC222982
Remote Similarity 0.6463 NPC153690
Remote Similarity 0.6463 NPC166667
Remote Similarity 0.6453 NPC184161
Remote Similarity 0.6446 NPC314113
Remote Similarity 0.6395 NPC76327
Remote Similarity 0.6384 NPC475983
Remote Similarity 0.6344 NPC272375
Remote Similarity 0.634 NPC147957
Remote Similarity 0.6333 NPC208280
Remote Similarity 0.6331 NPC323798
Remote Similarity 0.6328 NPC306366
Remote Similarity 0.6323 NPC321869
Remote Similarity 0.6309 NPC255721
Remote Similarity 0.6305 NPC140888
Remote Similarity 0.6284 NPC37584
Remote Similarity 0.6282 NPC317564
Remote Similarity 0.6273 NPC477839
Remote Similarity 0.6267 NPC9336
Remote Similarity 0.6258 NPC313466
Remote Similarity 0.6242 NPC317872
Remote Similarity 0.6225 NPC227553
Remote Similarity 0.6194 NPC311737
Remote Similarity 0.6194 NPC38458
Remote Similarity 0.619 NPC106688
Remote Similarity 0.6181 NPC315921
Remote Similarity 0.618 NPC291359
Remote Similarity 0.6159 NPC329358
Remote Similarity 0.6145 NPC235628
Remote Similarity 0.6144 NPC322735
Remote Similarity 0.614 NPC477890
Remote Similarity 0.6133 NPC96224
Remote Similarity 0.6133 NPC24101
Remote Similarity 0.6133 NPC204179
Remote Similarity 0.6129 NPC82963
Remote Similarity 0.6114 NPC264400
Remote Similarity 0.6111 NPC289776
Remote Similarity 0.6111 NPC133470
Remote Similarity 0.6111 NPC191863
Remote Similarity 0.6104 NPC329190
Remote Similarity 0.6087 NPC33402
Remote Similarity 0.6084 NPC184437
Remote Similarity 0.608 NPC219383
Remote Similarity 0.6074 NPC197680
Remote Similarity 0.6074 NPC259098
Remote Similarity 0.6067 NPC477889
Remote Similarity 0.6066 NPC44161
Remote Similarity 0.6043 NPC9475
Remote Similarity 0.6038 NPC284078
Remote Similarity 0.6033 NPC288430
Remote Similarity 0.6027 NPC316435
Remote Similarity 0.6021 NPC474498
Remote Similarity 0.6012 NPC473874
Remote Similarity 0.6011 NPC19555
Remote Similarity 0.6009 NPC166655
Remote Similarity 0.6 NPC42644
Remote Similarity 0.6 NPC103250
Remote Similarity 0.6 NPC118202
Remote Similarity 0.5988 NPC60553
Remote Similarity 0.5978 NPC10875
Remote Similarity 0.5978 NPC10730
Remote Similarity 0.5962 NPC317254
Remote Similarity 0.5949 NPC5932
Remote Similarity 0.5946 NPC257354
Remote Similarity 0.593 NPC470090
Remote Similarity 0.5914 NPC83241
Remote Similarity 0.5912 NPC268572
Remote Similarity 0.5912 NPC43275
Remote Similarity 0.5906 NPC178902
Remote Similarity 0.5904 NPC185313
Remote Similarity 0.5904 NPC168153
Remote Similarity 0.5904 NPC474091
Remote Similarity 0.5894 NPC231705
Remote Similarity 0.589 NPC325013
Remote Similarity 0.5882 NPC316574
Remote Similarity 0.5882 NPC225381
Remote Similarity 0.5882 NPC258056
Remote Similarity 0.5879 NPC26576
Remote Similarity 0.5878 NPC70201
Remote Similarity 0.5875 NPC41801
Remote Similarity 0.5875 NPC252817
Remote Similarity 0.5872 NPC477837
Remote Similarity 0.5872 NPC477838
Remote Similarity 0.587 NPC471178
Remote Similarity 0.5868 NPC475735
Remote Similarity 0.586 NPC244403
Remote Similarity 0.586 NPC37302
Remote Similarity 0.5855 NPC142297
Remote Similarity 0.5854 NPC314278
Remote Similarity 0.5852 NPC315829
Remote Similarity 0.5851 NPC95412
Remote Similarity 0.5849 NPC122009
Remote Similarity 0.5847 NPC124542
Remote Similarity 0.5847 NPC471177
Remote Similarity 0.5847 NPC199737
Remote Similarity 0.5847 NPC72291
Remote Similarity 0.5847 NPC59779
Remote Similarity 0.5844 NPC474149
Remote Similarity 0.5843 NPC322283
Remote Similarity 0.5833 NPC193334
Remote Similarity 0.5833 NPC264782
Remote Similarity 0.5817 NPC146096
Remote Similarity 0.5814 NPC47986
Remote Similarity 0.5813 NPC283760
Remote Similarity 0.5806 NPC163674
Remote Similarity 0.58 NPC178681
Remote Similarity 0.58 NPC311660
Remote Similarity 0.5798 NPC474409
Remote Similarity 0.5796 NPC205652
Remote Similarity 0.5793 NPC476483
Remote Similarity 0.5789 NPC159722
Remote Similarity 0.5786 NPC283468
Remote Similarity 0.5782 NPC33168
Remote Similarity 0.5779 NPC316052
Remote Similarity 0.5776 NPC67791
Remote Similarity 0.5774 NPC476687
Remote Similarity 0.5774 NPC48909
Remote Similarity 0.5774 NPC476689
Remote Similarity 0.5774 NPC476685
Remote Similarity 0.5767 NPC471315
Remote Similarity 0.5767 NPC471314
Remote Similarity 0.5767 NPC227778
Remote Similarity 0.5763 NPC161292
Remote Similarity 0.5762 NPC256838
Remote Similarity 0.5761 NPC177404
Remote Similarity 0.5759 NPC472331
Remote Similarity 0.5759 NPC274002
Remote Similarity 0.5759 NPC126515
Remote Similarity 0.5753 NPC128062
Remote Similarity 0.5751 NPC192939
Remote Similarity 0.5751 NPC215747
Remote Similarity 0.5749 NPC325651
Remote Similarity 0.5747 NPC301702
Remote Similarity 0.5743 NPC107619
Remote Similarity 0.5741 NPC473050
Remote Similarity 0.5741 NPC473051
Remote Similarity 0.5741 NPC324702
Remote Similarity 0.5732 NPC91452
Remote Similarity 0.5724 NPC211551
Remote Similarity 0.5724 NPC292452
Remote Similarity 0.5723 NPC181526
Remote Similarity 0.5714 NPC180253
Remote Similarity 0.5714 NPC219170
Remote Similarity 0.5714 NPC246991
Remote Similarity 0.5707 NPC231862
Remote Similarity 0.5705 NPC280382
Remote Similarity 0.5699 NPC260118
Remote Similarity 0.5696 NPC470550
Remote Similarity 0.5695 NPC168393
Remote Similarity 0.5692 NPC28425
Remote Similarity 0.5691 NPC151030
Remote Similarity 0.5691 NPC269383
Remote Similarity 0.5691 NPC477888
Remote Similarity 0.5691 NPC471778
Remote Similarity 0.569 NPC280853
Remote Similarity 0.5689 NPC101372
Remote Similarity 0.5687 NPC323948
Remote Similarity 0.5685 NPC271440
Remote Similarity 0.568 NPC326966
Remote Similarity 0.5679 NPC112823
Remote Similarity 0.5676 NPC57105
Remote Similarity 0.5674 NPC254798
Remote Similarity 0.567 NPC311936
Remote Similarity 0.5667 NPC40209
Remote Similarity 0.5667 NPC29601
Remote Similarity 0.5663 NPC29477
Remote Similarity 0.5661 NPC112336
Remote Similarity 0.5661 NPC310894
Remote Similarity 0.5661 NPC474814
Remote Similarity 0.5658 NPC119860
Remote Similarity 0.5658 NPC102216
Remote Similarity 0.5657 NPC245657
Remote Similarity 0.5657 NPC285016
Remote Similarity 0.5655 NPC47950
Remote Similarity 0.5655 NPC226662
Remote Similarity 0.5654 NPC288943
Remote Similarity 0.5648 NPC265383
Remote Similarity 0.5647 NPC244866
Remote Similarity 0.5647 NPC471953
Remote Similarity 0.5645 NPC473057
Remote Similarity 0.5644 NPC83279
Remote Similarity 0.5644 NPC86966
Remote Similarity 0.5641 NPC315934
Remote Similarity 0.5641 NPC119579
Remote Similarity 0.5641 NPC62069
Remote Similarity 0.5641 NPC477392
Remote Similarity 0.5635 NPC153769
Remote Similarity 0.5633 NPC309808
Remote Similarity 0.5632 NPC204156
Remote Similarity 0.5632 NPC49315
Remote Similarity 0.5632 NPC471596
Remote Similarity 0.5629 NPC8058
Remote Similarity 0.5625 NPC258992

Drug Structure

External Identifiers

TTD   DIB000952
DrugBank   DB06803
ChEMBL   CHEMBL1448
IUPHAR/BPS   8494
PharmaGKB   PA165958408
KEGG Drug   D00436
PubChem CID   4477
ChEBI   7553
CAS Number  50-65-7

Drug Properties

Molecular Weight  325.99
ALogP  1.6068
MLogP  2.01
XLogP  4.287
HDA  2
HBD  2
Rotatable Bonds  8
TPSA  95.96
RO5 Violation  0