Drug Information

Drug ID:  NPD3459
Drug Name:  pizotifen
Molecular Formula:  C19H21NS
Canonical SMILES:  CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1
Standard InCHI:  InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3
Standard InCHIKey:  FIADGNVRKBPQEU-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD3459

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 0.7282 NPC148231
Intermediate Similarity 0.7103 NPC470926
Intermediate Similarity 0.7027 NPC120203
Remote Similarity 0.699 NPC104070
Remote Similarity 0.6961 NPC231986
Remote Similarity 0.6923 NPC133162
Remote Similarity 0.6607 NPC329430
Remote Similarity 0.6577 NPC473661
Remote Similarity 0.6552 NPC239854
Remote Similarity 0.6518 NPC300455
Remote Similarity 0.6509 NPC474088
Remote Similarity 0.6481 NPC258046
Remote Similarity 0.6466 NPC11466
Remote Similarity 0.6364 NPC5324
Remote Similarity 0.6337 NPC244738
Remote Similarity 0.6311 NPC271642
Remote Similarity 0.6286 NPC8981
Remote Similarity 0.625 NPC166487
Remote Similarity 0.6228 NPC322040
Remote Similarity 0.6226 NPC195713
Remote Similarity 0.6214 NPC98976
Remote Similarity 0.6186 NPC474582
Remote Similarity 0.6167 NPC469974
Remote Similarity 0.6162 NPC52330
Remote Similarity 0.6154 NPC139658
Remote Similarity 0.6147 NPC169016
Remote Similarity 0.6139 NPC105991
Remote Similarity 0.6126 NPC17497
Remote Similarity 0.6126 NPC60408
Remote Similarity 0.6126 NPC305602
Remote Similarity 0.6075 NPC475573
Remote Similarity 0.6075 NPC475289
Remote Similarity 0.6019 NPC212463
Remote Similarity 0.5985 NPC473417
Remote Similarity 0.5984 NPC474695
Remote Similarity 0.5984 NPC167336
Remote Similarity 0.5982 NPC53492
Remote Similarity 0.5962 NPC299134
Remote Similarity 0.596 NPC155172
Remote Similarity 0.5922 NPC470796
Remote Similarity 0.5905 NPC276699
Remote Similarity 0.59 NPC36440
Remote Similarity 0.5888 NPC12857
Remote Similarity 0.5882 NPC139416
Remote Similarity 0.5882 NPC246822
Remote Similarity 0.5882 NPC213570
Remote Similarity 0.5872 NPC471376
Remote Similarity 0.5868 NPC291610
Remote Similarity 0.5865 NPC54269
Remote Similarity 0.5859 NPC22627
Remote Similarity 0.5854 NPC473418
Remote Similarity 0.5827 NPC475013
Remote Similarity 0.5825 NPC251490
Remote Similarity 0.5825 NPC229235
Remote Similarity 0.5825 NPC263385
Remote Similarity 0.5816 NPC210849
Remote Similarity 0.5816 NPC238023
Remote Similarity 0.5816 NPC310758
Remote Similarity 0.5812 NPC71140
Remote Similarity 0.581 NPC122327
Remote Similarity 0.581 NPC112609
Remote Similarity 0.581 NPC113000
Remote Similarity 0.58 NPC291066
Remote Similarity 0.5798 NPC472258
Remote Similarity 0.5794 NPC292758
Remote Similarity 0.5794 NPC65855
Remote Similarity 0.5794 NPC290638
Remote Similarity 0.5789 NPC302169
Remote Similarity 0.5784 NPC22760
Remote Similarity 0.5769 NPC1008
Remote Similarity 0.5769 NPC39799
Remote Similarity 0.5769 NPC158028
Remote Similarity 0.5769 NPC226999
Remote Similarity 0.5769 NPC280135
Remote Similarity 0.5769 NPC135433
Remote Similarity 0.5769 NPC87099
Remote Similarity 0.5769 NPC193578
Remote Similarity 0.5766 NPC119677
Remote Similarity 0.5758 NPC66517
Remote Similarity 0.5758 NPC71009
Remote Similarity 0.5758 NPC22786
Remote Similarity 0.5752 NPC203076
Remote Similarity 0.5746 NPC475915
Remote Similarity 0.5736 NPC476048
Remote Similarity 0.5728 NPC297358
Remote Similarity 0.5728 NPC473206
Remote Similarity 0.5728 NPC200936
Remote Similarity 0.5714 NPC1901
Remote Similarity 0.5701 NPC110264
Remote Similarity 0.57 NPC113670
Remote Similarity 0.57 NPC21211
Remote Similarity 0.5688 NPC159661
Remote Similarity 0.5686 NPC6107
Remote Similarity 0.5686 NPC267443
Remote Similarity 0.5678 NPC474974
Remote Similarity 0.5673 NPC72670
Remote Similarity 0.5673 NPC470795
Remote Similarity 0.5669 NPC190955
Remote Similarity 0.5669 NPC158854
Remote Similarity 0.5657 NPC45255
Remote Similarity 0.5657 NPC246588
Remote Similarity 0.5657 NPC135924
Remote Similarity 0.5648 NPC3190
Remote Similarity 0.5648 NPC249018
Remote Similarity 0.5648 NPC98269
Remote Similarity 0.5648 NPC325662
Remote Similarity 0.5644 NPC198023
Remote Similarity 0.5644 NPC32312
Remote Similarity 0.5644 NPC264470
Remote Similarity 0.5639 NPC264580
Remote Similarity 0.5636 NPC315216
Remote Similarity 0.5607 NPC307195
Remote Similarity 0.56 NPC29680

Drug Structure

External Identifiers

TTD   DIB011837
DrugBank  
ChEMBL  
IUPHAR/BPS   93
PharmaGKB  
KEGG Drug  
PubChem CID   27400
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  295.14
ALogP  1.6351
MLogP  3.33
XLogP  5.17
HDA  1
HBD  0
Rotatable Bonds  1
TPSA  31.48
RO5 Violation  1