Drug Information

Drug ID:  NPD6554
Drug Name:  Pyrvinium
Molecular Formula:  C26H28N3
Canonical SMILES:  CN(c1ccc2c(c1)ccc([n+]2C)C=Cc1cc(n(c1C)c1ccccc1)C)C
Standard InCHI:  InChI=1S/C26H28N3/c1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5/h6-18H,1-5H3/q+1
Standard InCHIKey:  QMHSXPLYMTVAMK-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD6554

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 0.8462 NPC54102
Intermediate Similarity 0.8462 NPC162689
Intermediate Similarity 0.844 NPC104483
Intermediate Similarity 0.8429 NPC314102
Intermediate Similarity 0.8429 NPC251722
Intermediate Similarity 0.8392 NPC20144
Intermediate Similarity 0.8385 NPC81561
Intermediate Similarity 0.8358 NPC122718
Intermediate Similarity 0.8308 NPC148140
Intermediate Similarity 0.8299 NPC40070
Intermediate Similarity 0.8176 NPC33421
Intermediate Similarity 0.8169 NPC150259
Intermediate Similarity 0.8156 NPC198988
Intermediate Similarity 0.8133 NPC476219
Intermediate Similarity 0.8125 NPC2949
Intermediate Similarity 0.8125 NPC59084
Intermediate Similarity 0.8071 NPC475450
Intermediate Similarity 0.8069 NPC63157
Intermediate Similarity 0.8069 NPC473868
Intermediate Similarity 0.806 NPC215519
Intermediate Similarity 0.8056 NPC88097
Intermediate Similarity 0.8039 NPC44773
Intermediate Similarity 0.8039 NPC215584
Intermediate Similarity 0.8015 NPC46358
Intermediate Similarity 0.8014 NPC473930
Intermediate Similarity 0.8013 NPC476297
Intermediate Similarity 0.8 NPC284635
Intermediate Similarity 0.7986 NPC169433
Intermediate Similarity 0.7974 NPC56765
Intermediate Similarity 0.7972 NPC325252
Intermediate Similarity 0.7971 NPC250361
Intermediate Similarity 0.7947 NPC325903
Intermediate Similarity 0.7941 NPC41174
Intermediate Similarity 0.7933 NPC53947
Intermediate Similarity 0.7931 NPC312092
Intermediate Similarity 0.7929 NPC473587
Intermediate Similarity 0.7922 NPC229173
Intermediate Similarity 0.7919 NPC21605
Intermediate Similarity 0.7919 NPC470111
Intermediate Similarity 0.7895 NPC476566
Intermediate Similarity 0.7881 NPC470233
Intermediate Similarity 0.7877 NPC238499
Intermediate Similarity 0.7877 NPC115611
Intermediate Similarity 0.7872 NPC22079
Intermediate Similarity 0.7872 NPC475428
Intermediate Similarity 0.7857 NPC473762
Intermediate Similarity 0.7857 NPC6436
Intermediate Similarity 0.7852 NPC288838
Intermediate Similarity 0.7852 NPC478186
Intermediate Similarity 0.7843 NPC51054
Intermediate Similarity 0.7821 NPC478182
Intermediate Similarity 0.7817 NPC179365
Intermediate Similarity 0.7808 NPC73767
Intermediate Similarity 0.78 NPC201380
Intermediate Similarity 0.78 NPC179787
Intermediate Similarity 0.7771 NPC2165
Intermediate Similarity 0.7771 NPC195507
Intermediate Similarity 0.7755 NPC469767
Intermediate Similarity 0.7755 NPC469768
Intermediate Similarity 0.7755 NPC469783
Intermediate Similarity 0.7755 NPC469779
Intermediate Similarity 0.7755 NPC469784
Intermediate Similarity 0.7755 NPC469780
Intermediate Similarity 0.7755 NPC469761
Intermediate Similarity 0.7748 NPC321911
Intermediate Similarity 0.7742 NPC318065
Intermediate Similarity 0.7742 NPC475990
Intermediate Similarity 0.7742 NPC206819
Intermediate Similarity 0.7742 NPC474880
Intermediate Similarity 0.7742 NPC221786
Intermediate Similarity 0.7733 NPC63545
Intermediate Similarity 0.7714 NPC476140
Intermediate Similarity 0.7703 NPC469766
Intermediate Similarity 0.7692 NPC81229
Intermediate Similarity 0.7692 NPC255229
Intermediate Similarity 0.7687 NPC110126
Intermediate Similarity 0.7682 NPC477134
Intermediate Similarity 0.7682 NPC469811
Intermediate Similarity 0.7677 NPC216643
Intermediate Similarity 0.7677 NPC286427
Intermediate Similarity 0.7671 NPC84911
Intermediate Similarity 0.7667 NPC470440
Intermediate Similarity 0.7628 NPC41257
Intermediate Similarity 0.7628 NPC477591
Intermediate Similarity 0.7628 NPC293487
Intermediate Similarity 0.7625 NPC474897
Intermediate Similarity 0.7609 NPC182570
Intermediate Similarity 0.7609 NPC265605
Intermediate Similarity 0.7609 NPC48564
Intermediate Similarity 0.7603 NPC96102
Intermediate Similarity 0.7603 NPC261195
Intermediate Similarity 0.7603 NPC218268
Intermediate Similarity 0.7603 NPC29886
Intermediate Similarity 0.7595 NPC90723
Intermediate Similarity 0.7595 NPC317105
Intermediate Similarity 0.7584 NPC277157
Intermediate Similarity 0.7571 NPC476322
Intermediate Similarity 0.7569 NPC82295
Intermediate Similarity 0.7564 NPC129721
Intermediate Similarity 0.7552 NPC476131
Intermediate Similarity 0.7551 NPC125746
Intermediate Similarity 0.7551 NPC105127
Intermediate Similarity 0.755 NPC86288
Intermediate Similarity 0.755 NPC204141
Intermediate Similarity 0.755 NPC469525
Intermediate Similarity 0.7546 NPC280852
Intermediate Similarity 0.7532 NPC194881
Intermediate Similarity 0.7516 NPC92796
Intermediate Similarity 0.7516 NPC135141
Intermediate Similarity 0.75 NPC69914
Intermediate Similarity 0.75 NPC282398
Intermediate Similarity 0.75 NPC478183
Intermediate Similarity 0.7484 NPC478184
Intermediate Similarity 0.7484 NPC200743
Intermediate Similarity 0.7452 NPC236711
Intermediate Similarity 0.7445 NPC240136
Intermediate Similarity 0.7445 NPC297486
Intermediate Similarity 0.7445 NPC471402
Intermediate Similarity 0.7434 NPC314372
Intermediate Similarity 0.7421 NPC470203
Intermediate Similarity 0.7421 NPC478185
Intermediate Similarity 0.7417 NPC190296
Intermediate Similarity 0.7407 NPC91895
Intermediate Similarity 0.7407 NPC194411
Intermediate Similarity 0.74 NPC279081
Intermediate Similarity 0.7391 NPC56233
Intermediate Similarity 0.7391 NPC91958
Intermediate Similarity 0.7378 NPC297034
Intermediate Similarity 0.7375 NPC21174
Intermediate Similarity 0.7375 NPC271797
Intermediate Similarity 0.7372 NPC192209
Intermediate Similarity 0.7372 NPC281094
Intermediate Similarity 0.7368 NPC242556
Intermediate Similarity 0.7358 NPC122141
Intermediate Similarity 0.7358 NPC470204
Intermediate Similarity 0.7355 NPC105818
Intermediate Similarity 0.7355 NPC24678
Intermediate Similarity 0.7353 NPC143156
Intermediate Similarity 0.7333 NPC315348
Intermediate Similarity 0.7333 NPC32002
Intermediate Similarity 0.7333 NPC296163
Intermediate Similarity 0.7333 NPC316811
Intermediate Similarity 0.732 NPC285731
Intermediate Similarity 0.7312 NPC225018
Intermediate Similarity 0.7301 NPC32534
Intermediate Similarity 0.729 NPC2272
Intermediate Similarity 0.729 NPC37548
Intermediate Similarity 0.7285 NPC230002
Intermediate Similarity 0.7278 NPC476464
Intermediate Similarity 0.7273 NPC143872
Intermediate Similarity 0.7273 NPC275305
Intermediate Similarity 0.7273 NPC37423
Intermediate Similarity 0.7266 NPC143603
Intermediate Similarity 0.7261 NPC469763
Intermediate Similarity 0.7261 NPC469760
Intermediate Similarity 0.7261 NPC138842
Intermediate Similarity 0.7261 NPC25008
Intermediate Similarity 0.7261 NPC469786
Intermediate Similarity 0.7261 NPC73952
Intermediate Similarity 0.7261 NPC469765
Intermediate Similarity 0.7261 NPC200214
Intermediate Similarity 0.7261 NPC259644
Intermediate Similarity 0.7256 NPC82331
Intermediate Similarity 0.7229 NPC472122
Intermediate Similarity 0.7229 NPC24594
Intermediate Similarity 0.7226 NPC471957
Intermediate Similarity 0.7215 NPC70922
Intermediate Similarity 0.7215 NPC80597
Intermediate Similarity 0.7215 NPC212376
Intermediate Similarity 0.7215 NPC211572
Intermediate Similarity 0.7215 NPC75540
Intermediate Similarity 0.7208 NPC159856
Intermediate Similarity 0.7206 NPC187036
Intermediate Similarity 0.7203 NPC27740
Intermediate Similarity 0.7202 NPC314919
Intermediate Similarity 0.7186 NPC68354
Intermediate Similarity 0.7186 NPC326575
Intermediate Similarity 0.7179 NPC124005
Intermediate Similarity 0.7179 NPC187951
Intermediate Similarity 0.717 NPC184476
Intermediate Similarity 0.7169 NPC469938
Intermediate Similarity 0.7169 NPC471579
Intermediate Similarity 0.7169 NPC189812
Intermediate Similarity 0.7169 NPC329688
Intermediate Similarity 0.716 NPC8104
Intermediate Similarity 0.716 NPC162799
Intermediate Similarity 0.7152 NPC158129
Intermediate Similarity 0.7143 NPC215795
Intermediate Similarity 0.7143 NPC133261
Intermediate Similarity 0.7143 NPC12649
Intermediate Similarity 0.7143 NPC176199
Intermediate Similarity 0.7134 NPC317430
Intermediate Similarity 0.7134 NPC63751
Intermediate Similarity 0.7133 NPC290094
Intermediate Similarity 0.7132 NPC213774
Intermediate Similarity 0.7126 NPC474958
Intermediate Similarity 0.7126 NPC121903
Intermediate Similarity 0.7122 NPC313449
Intermediate Similarity 0.7118 NPC19679
Intermediate Similarity 0.7117 NPC274229

Drug Structure

External Identifiers

TTD   DIB009333
DrugBank   DB06816
ChEMBL   CHEMBL1201303
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI   8687
CAS Number  7187-62-4

Drug Properties

Molecular Weight  382.23
ALogP  0.2362
MLogP  3.99
XLogP  7.629
HDA  2
HBD  0
Rotatable Bonds  9
TPSA  11.53
RO5 Violation  1