Drug Information

Drug ID:  NPD1796
Drug Name:  Pridopidine
Molecular Formula:  C15H23NO2S
Canonical SMILES:  CCCN1CCC(CC1)c1cccc(c1)S(=O)(=O)C
Standard InCHI:  InChI=1S/C15H23NO2S/c1-3-9-16-10-7-13(8-11-16)14-5-4-6-15(12-14)19(2,17)18/h4-6,12-13H,3,7-11H2,1-2H3
Standard InCHIKey:  YGKUEOZJFIXDGI-UHFFFAOYSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1796

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 0.7071 NPC474088
Intermediate Similarity 0.7071 NPC104070
Remote Similarity 0.6952 NPC473661
Remote Similarity 0.6869 NPC231986
Remote Similarity 0.6857 NPC470926
Remote Similarity 0.6759 NPC317400
Remote Similarity 0.6701 NPC302129
Remote Similarity 0.6701 NPC271642
Remote Similarity 0.6635 NPC305602
Remote Similarity 0.6635 NPC17497
Remote Similarity 0.66 NPC475573
Remote Similarity 0.66 NPC475289
Remote Similarity 0.6598 NPC98976
Remote Similarity 0.6562 NPC244738
Remote Similarity 0.6538 NPC258046
Remote Similarity 0.6531 NPC35599
Remote Similarity 0.6531 NPC139658
Remote Similarity 0.6422 NPC71140
Remote Similarity 0.6392 NPC212463
Remote Similarity 0.6383 NPC52330
Remote Similarity 0.6364 NPC329430
Remote Similarity 0.6346 NPC169016
Remote Similarity 0.6346 NPC133162
Remote Similarity 0.6321 NPC53492
Remote Similarity 0.6316 NPC181786
Remote Similarity 0.6316 NPC239854
Remote Similarity 0.6293 NPC167336
Remote Similarity 0.6273 NPC322040
Remote Similarity 0.6263 NPC276699
Remote Similarity 0.625 NPC5324
Remote Similarity 0.6238 NPC12857
Remote Similarity 0.6228 NPC474582
Remote Similarity 0.6226 NPC148231
Remote Similarity 0.6218 NPC158854
Remote Similarity 0.6214 NPC313850
Remote Similarity 0.6196 NPC135924
Remote Similarity 0.619 NPC302169
Remote Similarity 0.6186 NPC229235
Remote Similarity 0.617 NPC198023
Remote Similarity 0.617 NPC32312
Remote Similarity 0.617 NPC155172
Remote Similarity 0.6168 NPC60408
Remote Similarity 0.6162 NPC299134
Remote Similarity 0.6162 NPC122327
Remote Similarity 0.6162 NPC112609
Remote Similarity 0.6162 NPC113000
Remote Similarity 0.6154 NPC473418
Remote Similarity 0.6139 NPC290638
Remote Similarity 0.6083 NPC292758
Remote Similarity 0.6083 NPC65855
Remote Similarity 0.6071 NPC256452
Remote Similarity 0.6068 NPC469974
Remote Similarity 0.6064 NPC88566
Remote Similarity 0.6064 NPC45756
Remote Similarity 0.6053 NPC120203
Remote Similarity 0.6045 NPC32858
Remote Similarity 0.6045 NPC194857
Remote Similarity 0.6022 NPC210849
Remote Similarity 0.6017 NPC474695
Remote Similarity 0.6016 NPC476048
Remote Similarity 0.6 NPC14326
Remote Similarity 0.5984 NPC181390
Remote Similarity 0.5982 NPC474974
Remote Similarity 0.598 NPC325662
Remote Similarity 0.598 NPC98269
Remote Similarity 0.5965 NPC472258
Remote Similarity 0.5957 NPC29680
Remote Similarity 0.5952 NPC476440
Remote Similarity 0.5943 NPC119677
Remote Similarity 0.5938 NPC36440
Remote Similarity 0.5938 NPC178527
Remote Similarity 0.5929 NPC161972
Remote Similarity 0.5929 NPC303045
Remote Similarity 0.5926 NPC203076
Remote Similarity 0.5922 NPC67863
Remote Similarity 0.5913 NPC322598
Remote Similarity 0.59 NPC54269
Remote Similarity 0.5897 NPC291610
Remote Similarity 0.5896 NPC473417
Remote Similarity 0.5895 NPC113670
Remote Similarity 0.5895 NPC22627
Remote Similarity 0.5876 NPC267443
Remote Similarity 0.5872 NPC471638
Remote Similarity 0.5872 NPC473031
Remote Similarity 0.587 NPC65873
Remote Similarity 0.587 NPC120441
Remote Similarity 0.587 NPC300345
Remote Similarity 0.587 NPC212114
Remote Similarity 0.5859 NPC219246
Remote Similarity 0.5854 NPC475013
Remote Similarity 0.5851 NPC45255
Remote Similarity 0.5851 NPC310758
Remote Similarity 0.5851 NPC54368
Remote Similarity 0.5851 NPC246588
Remote Similarity 0.5851 NPC150196
Remote Similarity 0.5851 NPC238023
Remote Similarity 0.5851 NPC248705
Remote Similarity 0.5833 NPC45033
Remote Similarity 0.5833 NPC3210
Remote Similarity 0.5827 NPC254088
Remote Similarity 0.5818 NPC12429
Remote Similarity 0.5812 NPC469457
Remote Similarity 0.5804 NPC245259
Remote Similarity 0.5794 NPC218710
Remote Similarity 0.5794 NPC125549
Remote Similarity 0.5789 NPC71009
Remote Similarity 0.5789 NPC22786
Remote Similarity 0.5766 NPC470877
Remote Similarity 0.5761 NPC269586
Remote Similarity 0.5761 NPC198841
Remote Similarity 0.5758 NPC139416
Remote Similarity 0.5758 NPC213570
Remote Similarity 0.5758 NPC200936
Remote Similarity 0.5758 NPC246822
Remote Similarity 0.5745 NPC147062
Remote Similarity 0.5739 NPC471319
Remote Similarity 0.5739 NPC471320
Remote Similarity 0.5739 NPC25565
Remote Similarity 0.5729 NPC50266
Remote Similarity 0.5728 NPC110264
Remote Similarity 0.5725 NPC169485
Remote Similarity 0.5725 NPC291027
Remote Similarity 0.5725 NPC317474
Remote Similarity 0.5725 NPC213126
Remote Similarity 0.5725 NPC84281
Remote Similarity 0.5714 NPC159178
Remote Similarity 0.5714 NPC74936
Remote Similarity 0.5714 NPC471307
Remote Similarity 0.5714 NPC141139
Remote Similarity 0.5714 NPC209764
Remote Similarity 0.5714 NPC78041
Remote Similarity 0.5714 NPC121872
Remote Similarity 0.5714 NPC246904
Remote Similarity 0.5714 NPC172128
Remote Similarity 0.5714 NPC6107
Remote Similarity 0.5704 NPC328590
Remote Similarity 0.5702 NPC300455
Remote Similarity 0.5702 NPC469330
Remote Similarity 0.569 NPC473501
Remote Similarity 0.569 NPC475439
Remote Similarity 0.5678 NPC214200
Remote Similarity 0.5678 NPC228400
Remote Similarity 0.5673 NPC249018
Remote Similarity 0.5673 NPC3190
Remote Similarity 0.567 NPC291066
Remote Similarity 0.5669 NPC473573
Remote Similarity 0.5667 NPC275467
Remote Similarity 0.5664 NPC226438
Remote Similarity 0.5662 NPC300315
Remote Similarity 0.5659 NPC264580
Remote Similarity 0.5652 NPC277704
Remote Similarity 0.5652 NPC58674
Remote Similarity 0.5652 NPC108339
Remote Similarity 0.5652 NPC149436
Remote Similarity 0.5649 NPC314192
Remote Similarity 0.5648 NPC477770
Remote Similarity 0.5644 NPC87099
Remote Similarity 0.5644 NPC193578
Remote Similarity 0.5644 NPC39799
Remote Similarity 0.5644 NPC135433
Remote Similarity 0.5644 NPC226999
Remote Similarity 0.5644 NPC1008
Remote Similarity 0.5644 NPC158028
Remote Similarity 0.5644 NPC280135
Remote Similarity 0.5638 NPC8235
Remote Similarity 0.5638 NPC114327
Remote Similarity 0.5638 NPC64270
Remote Similarity 0.5638 NPC36357
Remote Similarity 0.563 NPC329375
Remote Similarity 0.5625 NPC66517
Remote Similarity 0.562 NPC143516
Remote Similarity 0.5619 NPC103488
Remote Similarity 0.5612 NPC289915
Remote Similarity 0.5612 NPC113837
Remote Similarity 0.56 NPC473206
Remote Similarity 0.56 NPC297358

Drug Structure

External Identifiers

TTD   DIB014244
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  281.14
ALogP  -1.3937
MLogP  2.67
XLogP  3.214
HDA  3
HBD  0
Rotatable Bonds  6
TPSA  45.76
RO5 Violation  0