Drug Information

Drug ID:  NPD508
Drug Name:  Pargyline
Molecular Formula:  C11H13N
Canonical SMILES:  CN(Cc1ccccc1)CC#C
Standard InCHI:  InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
Standard InCHIKey:  DPWPWRLQFGFJFI-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD508

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
High Similarity 0.9452 NPC98976
High Similarity 0.9324 NPC271642
High Similarity 0.8831 NPC12857
High Similarity 0.875 NPC104070
Intermediate Similarity 0.8193 NPC169016
Intermediate Similarity 0.8158 NPC219246
Intermediate Similarity 0.8101 NPC139658
Intermediate Similarity 0.8077 NPC299134
Intermediate Similarity 0.8 NPC325662
Intermediate Similarity 0.8 NPC98269
Intermediate Similarity 0.8 NPC258046
Intermediate Similarity 0.7955 NPC470926
Intermediate Similarity 0.7831 NPC231986
Intermediate Similarity 0.7722 NPC244738
Intermediate Similarity 0.7692 NPC229235
Intermediate Similarity 0.7647 NPC474088
Intermediate Similarity 0.7625 NPC113000
Intermediate Similarity 0.7625 NPC122327
Intermediate Similarity 0.7625 NPC112609
Intermediate Similarity 0.7582 NPC469330
Intermediate Similarity 0.7582 NPC322040
Intermediate Similarity 0.7531 NPC276699
Intermediate Similarity 0.7432 NPC169110
Intermediate Similarity 0.7349 NPC290638
Intermediate Similarity 0.7312 NPC329430
Intermediate Similarity 0.7303 NPC305602
Intermediate Similarity 0.7303 NPC473031
Intermediate Similarity 0.7303 NPC17497
Intermediate Similarity 0.7283 NPC473661
Intermediate Similarity 0.726 NPC269586
Intermediate Similarity 0.7241 NPC119677
Intermediate Similarity 0.7234 NPC471320
Intermediate Similarity 0.7234 NPC471319
Intermediate Similarity 0.7216 NPC291610
Intermediate Similarity 0.7216 NPC239854
Intermediate Similarity 0.7162 NPC65873
Intermediate Similarity 0.7162 NPC300345
Intermediate Similarity 0.7162 NPC212114
Intermediate Similarity 0.7162 NPC120441
Intermediate Similarity 0.7143 NPC470877
Intermediate Similarity 0.7128 NPC108339
Intermediate Similarity 0.7123 NPC277704
Intermediate Similarity 0.7123 NPC149436
Intermediate Similarity 0.7093 NPC475289
Intermediate Similarity 0.7093 NPC475573
Intermediate Similarity 0.7067 NPC8235
Intermediate Similarity 0.7065 NPC471307
Intermediate Similarity 0.7065 NPC209764
Intermediate Similarity 0.7065 NPC141139
Intermediate Similarity 0.7065 NPC121872
Intermediate Similarity 0.7065 NPC78041
Intermediate Similarity 0.7065 NPC74936
Intermediate Similarity 0.7065 NPC159178
Intermediate Similarity 0.7027 NPC198841
Intermediate Similarity 0.7013 NPC200745
Intermediate Similarity 0.7 NPC474695
Remote Similarity 0.6974 NPC147062
Remote Similarity 0.6923 NPC50266
Remote Similarity 0.6883 NPC135924
Remote Similarity 0.6883 NPC310758
Remote Similarity 0.6883 NPC248705
Remote Similarity 0.6883 NPC150196
Remote Similarity 0.6883 NPC54368
Remote Similarity 0.6883 NPC238023
Remote Similarity 0.6883 NPC210849
Remote Similarity 0.6842 NPC114327
Remote Similarity 0.6842 NPC36357
Remote Similarity 0.6842 NPC64270
Remote Similarity 0.6842 NPC471309
Remote Similarity 0.6842 NPC474974
Remote Similarity 0.6832 NPC476198
Remote Similarity 0.6795 NPC29680
Remote Similarity 0.6778 NPC133162
Remote Similarity 0.6771 NPC256452
Remote Similarity 0.6739 NPC53492
Remote Similarity 0.6733 NPC469974
Remote Similarity 0.6709 NPC88566
Remote Similarity 0.6707 NPC200936
Remote Similarity 0.6702 NPC78154
Remote Similarity 0.6667 NPC12429
Remote Similarity 0.6667 NPC246588
Remote Similarity 0.6667 NPC30445
Remote Similarity 0.6667 NPC71140
Remote Similarity 0.6667 NPC7067
Remote Similarity 0.6667 NPC111233
Remote Similarity 0.6635 NPC164802
Remote Similarity 0.663 NPC203076
Remote Similarity 0.6625 NPC32312
Remote Similarity 0.6625 NPC155172
Remote Similarity 0.6625 NPC198023
Remote Similarity 0.6582 NPC66517
Remote Similarity 0.6582 NPC22786
Remote Similarity 0.6582 NPC71009
Remote Similarity 0.6566 NPC322598
Remote Similarity 0.6559 NPC471638
Remote Similarity 0.6559 NPC262295
Remote Similarity 0.6556 NPC14326
Remote Similarity 0.6548 NPC121708
Remote Similarity 0.6548 NPC125144
Remote Similarity 0.6543 NPC178527
Remote Similarity 0.6538 NPC55529
Remote Similarity 0.65 NPC45756
Remote Similarity 0.65 NPC113670
Remote Similarity 0.65 NPC21211
Remote Similarity 0.6484 NPC134825
Remote Similarity 0.6465 NPC472258
Remote Similarity 0.6463 NPC267443
Remote Similarity 0.6463 NPC6107
Remote Similarity 0.6463 NPC52330
Remote Similarity 0.6458 NPC245259
Remote Similarity 0.6456 NPC45255
Remote Similarity 0.6437 NPC110264
Remote Similarity 0.6436 NPC228400
Remote Similarity 0.6436 NPC289381
Remote Similarity 0.6436 NPC155847
Remote Similarity 0.6436 NPC474582
Remote Similarity 0.6436 NPC214200
Remote Similarity 0.6421 NPC173991
Remote Similarity 0.6421 NPC176858
Remote Similarity 0.642 NPC291066
Remote Similarity 0.6386 NPC311343
Remote Similarity 0.6383 NPC60408
Remote Similarity 0.6373 NPC329375
Remote Similarity 0.6354 NPC316108
Remote Similarity 0.6354 NPC191444
Remote Similarity 0.6346 NPC473418
Remote Similarity 0.6344 NPC3210
Remote Similarity 0.6341 NPC113837
Remote Similarity 0.6341 NPC36440
Remote Similarity 0.6341 NPC289915
Remote Similarity 0.633 NPC187036
Remote Similarity 0.633 NPC296163
Remote Similarity 0.6329 NPC147578
Remote Similarity 0.6311 NPC471317
Remote Similarity 0.6311 NPC471310
Remote Similarity 0.6311 NPC202613
Remote Similarity 0.631 NPC98880
Remote Similarity 0.631 NPC213570
Remote Similarity 0.631 NPC246822
Remote Similarity 0.631 NPC139416
Remote Similarity 0.6289 NPC226438
Remote Similarity 0.6263 NPC303045
Remote Similarity 0.6263 NPC161972
Remote Similarity 0.6263 NPC58674
Remote Similarity 0.625 NPC200624
Remote Similarity 0.625 NPC313449
Remote Similarity 0.6235 NPC95289
Remote Similarity 0.6224 NPC108800
Remote Similarity 0.6216 NPC288232
Remote Similarity 0.6214 NPC327226
Remote Similarity 0.62 NPC25565
Remote Similarity 0.619 NPC167336
Remote Similarity 0.619 NPC143516
Remote Similarity 0.619 NPC82770
Remote Similarity 0.619 NPC239931
Remote Similarity 0.619 NPC78954
Remote Similarity 0.6182 NPC57051
Remote Similarity 0.617 NPC229477
Remote Similarity 0.6168 NPC77294
Remote Similarity 0.6163 NPC158028
Remote Similarity 0.6163 NPC326200
Remote Similarity 0.6163 NPC280135
Remote Similarity 0.6163 NPC74458
Remote Similarity 0.6163 NPC193578
Remote Similarity 0.6163 NPC135433
Remote Similarity 0.6163 NPC226999
Remote Similarity 0.6163 NPC1008
Remote Similarity 0.6163 NPC39799
Remote Similarity 0.6163 NPC87099
Remote Similarity 0.6162 NPC246757
Remote Similarity 0.6162 NPC291070
Remote Similarity 0.6161 NPC313673
Remote Similarity 0.6139 NPC475439
Remote Similarity 0.6139 NPC473501
Remote Similarity 0.6132 NPC474804
Remote Similarity 0.6132 NPC130898
Remote Similarity 0.6132 NPC474973
Remote Similarity 0.6132 NPC471447
Remote Similarity 0.6132 NPC45033
Remote Similarity 0.6118 NPC169222
Remote Similarity 0.6118 NPC16190
Remote Similarity 0.6118 NPC5324
Remote Similarity 0.6118 NPC235059
Remote Similarity 0.6118 NPC473206
Remote Similarity 0.6106 NPC192209
Remote Similarity 0.6095 NPC226778
Remote Similarity 0.6095 NPC304761
Remote Similarity 0.6095 NPC147000
Remote Similarity 0.6095 NPC150254
Remote Similarity 0.6095 NPC275467
Remote Similarity 0.6092 NPC212463
Remote Similarity 0.6092 NPC54269
Remote Similarity 0.6092 NPC285679
Remote Similarity 0.6087 NPC307456
Remote Similarity 0.6087 NPC316582
Remote Similarity 0.6075 NPC79618
Remote Similarity 0.6075 NPC434
Remote Similarity 0.6071 NPC101139
Remote Similarity 0.6053 NPC228515
Remote Similarity 0.6053 NPC264580

Drug Structure

External Identifiers

TTD   DAP000580
DrugBank   DB01626
ChEMBL   CHEMBL673
IUPHAR/BPS   7262
PharmaGKB   PA450797
KEGG Drug  
PubChem CID   4688
ChEBI   7930
CAS Number  555-57-7

Drug Properties

Molecular Weight  159.10
ALogP  0.9036
MLogP  2.56
XLogP  3.239
HDA  1
HBD  0
Rotatable Bonds  4
TPSA  3.24
RO5 Violation  0