Drug Information

Drug ID:  NPD9564
Drug Name:  Tranylcypromine
Molecular Formula:  C9H11N
Canonical SMILES:  N[C@@H]1CC1c1ccccc1
Standard InCHI:  InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8?,9-/m1/s1
Standard InCHIKey:  AELCINSCMGFISI-YGPZHTELSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD9564

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 0.9178 NPC113000
High Similarity 0.9178 NPC122327
High Similarity 0.9178 NPC112609
High Similarity 0.9067 NPC290638
High Similarity 0.9028 NPC229235
High Similarity 0.8816 NPC98269
High Similarity 0.8816 NPC325662
High Similarity 0.88 NPC276699
Intermediate Similarity 0.8442 NPC139658
Intermediate Similarity 0.8395 NPC119677
Intermediate Similarity 0.8267 NPC219246
Intermediate Similarity 0.7821 NPC244738
Intermediate Similarity 0.7778 NPC12857
Intermediate Similarity 0.7674 NPC258046
Intermediate Similarity 0.7671 NPC135924
Intermediate Similarity 0.7647 NPC169016
Intermediate Similarity 0.7586 NPC60408
Intermediate Similarity 0.7582 NPC329430
Intermediate Similarity 0.75 NPC231986
Intermediate Similarity 0.7467 NPC88566
Intermediate Similarity 0.7442 NPC133162
Intermediate Similarity 0.7407 NPC98976
Intermediate Similarity 0.7368 NPC198023
Intermediate Similarity 0.7368 NPC32312
Intermediate Similarity 0.7368 NPC155172
Intermediate Similarity 0.7361 NPC198841
Intermediate Similarity 0.7333 NPC29680
Intermediate Similarity 0.7317 NPC271642
Intermediate Similarity 0.7303 NPC30445
Intermediate Similarity 0.7284 NPC299134
Intermediate Similarity 0.7283 NPC246757
Intermediate Similarity 0.7283 NPC291070
Intermediate Similarity 0.726 NPC300345
Intermediate Similarity 0.726 NPC65873
Intermediate Similarity 0.726 NPC212114
Intermediate Similarity 0.726 NPC120441
Intermediate Similarity 0.7237 NPC113670
Intermediate Similarity 0.7237 NPC50266
Intermediate Similarity 0.7237 NPC45756
Intermediate Similarity 0.7222 NPC176858
Intermediate Similarity 0.7222 NPC149436
Intermediate Similarity 0.72 NPC248705
Intermediate Similarity 0.72 NPC310758
Intermediate Similarity 0.72 NPC238023
Intermediate Similarity 0.72 NPC150196
Intermediate Similarity 0.72 NPC210849
Intermediate Similarity 0.72 NPC246588
Intermediate Similarity 0.72 NPC54368
Intermediate Similarity 0.7143 NPC191444
Intermediate Similarity 0.7126 NPC104070
Intermediate Similarity 0.7123 NPC269586
Intermediate Similarity 0.7105 NPC71009
Intermediate Similarity 0.7105 NPC66517
Intermediate Similarity 0.7067 NPC147062
Intermediate Similarity 0.7065 NPC470926
Intermediate Similarity 0.7053 NPC122493
Intermediate Similarity 0.7053 NPC10781
Intermediate Similarity 0.7053 NPC293628
Intermediate Similarity 0.7051 NPC178527
Intermediate Similarity 0.7013 NPC21211
Intermediate Similarity 0.7 NPC200936
Remote Similarity 0.6986 NPC277704
Remote Similarity 0.6979 NPC303611
Remote Similarity 0.6979 NPC108606
Remote Similarity 0.6979 NPC226096
Remote Similarity 0.6979 NPC164514
Remote Similarity 0.6979 NPC290515
Remote Similarity 0.6962 NPC6107
Remote Similarity 0.6962 NPC267443
Remote Similarity 0.6957 NPC316108
Remote Similarity 0.6933 NPC8235
Remote Similarity 0.6933 NPC64270
Remote Similarity 0.6933 NPC36357
Remote Similarity 0.6933 NPC114327
Remote Similarity 0.6932 NPC474088
Remote Similarity 0.6923 NPC111233
Remote Similarity 0.6923 NPC291066
Remote Similarity 0.6915 NPC469330
Remote Similarity 0.6915 NPC7067
Remote Similarity 0.6905 NPC110264
Remote Similarity 0.6883 NPC22786
Remote Similarity 0.6875 NPC324569
Remote Similarity 0.6842 NPC20142
Remote Similarity 0.6842 NPC215351
Remote Similarity 0.6842 NPC169110
Remote Similarity 0.6835 NPC113837
Remote Similarity 0.6835 NPC289915
Remote Similarity 0.6809 NPC108800
Remote Similarity 0.679 NPC246822
Remote Similarity 0.679 NPC139416
Remote Similarity 0.679 NPC473206
Remote Similarity 0.679 NPC213570
Remote Similarity 0.6747 NPC54269
Remote Similarity 0.6737 NPC322040
Remote Similarity 0.6709 NPC264470
Remote Similarity 0.6707 NPC251490
Remote Similarity 0.6707 NPC263385
Remote Similarity 0.6707 NPC72670
Remote Similarity 0.6703 NPC203076
Remote Similarity 0.6702 NPC226438
Remote Similarity 0.6667 NPC303045
Remote Similarity 0.6667 NPC200745
Remote Similarity 0.6667 NPC327481
Remote Similarity 0.6667 NPC161972
Remote Similarity 0.6634 NPC226778
Remote Similarity 0.6634 NPC150254
Remote Similarity 0.6634 NPC147000
Remote Similarity 0.6634 NPC304761
Remote Similarity 0.663 NPC262295
Remote Similarity 0.663 NPC473031
Remote Similarity 0.663 NPC471638
Remote Similarity 0.6629 NPC14326
Remote Similarity 0.6627 NPC1008
Remote Similarity 0.6627 NPC87099
Remote Similarity 0.6627 NPC121708
Remote Similarity 0.6627 NPC135433
Remote Similarity 0.6627 NPC280135
Remote Similarity 0.6627 NPC226999
Remote Similarity 0.6627 NPC158028
Remote Similarity 0.6627 NPC125144
Remote Similarity 0.6627 NPC39799
Remote Similarity 0.6627 NPC193578
Remote Similarity 0.6598 NPC471320
Remote Similarity 0.6598 NPC471319
Remote Similarity 0.6598 NPC25565
Remote Similarity 0.6591 NPC192623
Remote Similarity 0.6585 NPC297358
Remote Similarity 0.6569 NPC67043
Remote Similarity 0.6566 NPC125732
Remote Similarity 0.6559 NPC12429
Remote Similarity 0.6548 NPC212463
Remote Similarity 0.6548 NPC1901
Remote Similarity 0.6543 NPC52330
Remote Similarity 0.6538 NPC45255
Remote Similarity 0.6535 NPC164859
Remote Similarity 0.6531 NPC475439
Remote Similarity 0.6531 NPC473501
Remote Similarity 0.65 NPC474582
Remote Similarity 0.6495 NPC108339
Remote Similarity 0.6489 NPC173991
Remote Similarity 0.6489 NPC470877
Remote Similarity 0.6471 NPC96835
Remote Similarity 0.6471 NPC258492
Remote Similarity 0.6471 NPC275467
Remote Similarity 0.6463 NPC22760
Remote Similarity 0.6437 NPC249018
Remote Similarity 0.6437 NPC3190
Remote Similarity 0.6437 NPC298023
Remote Similarity 0.6436 NPC327226
Remote Similarity 0.6436 NPC239854
Remote Similarity 0.6421 NPC209764
Remote Similarity 0.6421 NPC159178
Remote Similarity 0.6421 NPC78041
Remote Similarity 0.6421 NPC471307
Remote Similarity 0.6421 NPC74936
Remote Similarity 0.6421 NPC141139
Remote Similarity 0.6421 NPC121872
Remote Similarity 0.642 NPC36440
Remote Similarity 0.6415 NPC313981
Remote Similarity 0.641 NPC147578
Remote Similarity 0.6408 NPC474695
Remote Similarity 0.6404 NPC309279
Remote Similarity 0.6404 NPC475289
Remote Similarity 0.6404 NPC475573
Remote Similarity 0.6395 NPC307195
Remote Similarity 0.6381 NPC97811
Remote Similarity 0.6373 NPC68055
Remote Similarity 0.6364 NPC103488
Remote Similarity 0.6364 NPC311242
Remote Similarity 0.6364 NPC313673
Remote Similarity 0.6364 NPC224544
Remote Similarity 0.6354 NPC245259
Remote Similarity 0.6337 NPC469457
Remote Similarity 0.6329 NPC200624
Remote Similarity 0.6322 NPC35599
Remote Similarity 0.6321 NPC24777
Remote Similarity 0.631 NPC271732
Remote Similarity 0.631 NPC95289
Remote Similarity 0.63 NPC322598
Remote Similarity 0.6296 NPC474584
Remote Similarity 0.6292 NPC159661
Remote Similarity 0.6289 NPC473661
Remote Similarity 0.6277 NPC305602
Remote Similarity 0.6277 NPC17497
Remote Similarity 0.6265 NPC311343
Remote Similarity 0.6265 NPC239931
Remote Similarity 0.6265 NPC82770
Remote Similarity 0.6265 NPC78954
Remote Similarity 0.6262 NPC319579
Remote Similarity 0.625 NPC42383
Remote Similarity 0.625 NPC320656
Remote Similarity 0.6238 NPC12730
Remote Similarity 0.6237 NPC3210
Remote Similarity 0.6235 NPC208302
Remote Similarity 0.6235 NPC74458
Remote Similarity 0.6224 NPC471309
Remote Similarity 0.6222 NPC285716
Remote Similarity 0.6222 NPC157055
Remote Similarity 0.6222 NPC17408
Remote Similarity 0.6207 NPC301874

Drug Structure

External Identifiers

TTD   DAP000081
DrugBank   DB00752
ChEMBL   CHEMBL313833
IUPHAR/BPS  
PharmaGKB   PA451741
KEGG Drug   D08625
PubChem CID  
ChEBI   131512
CAS Number  155-09-9

Drug Properties

Molecular Weight  133.09
ALogP  -0.8508
MLogP  2.34
XLogP  3.181
HDA  1
HBD  1
Rotatable Bonds  2
TPSA  26.02
RO5 Violation  0