Drug Information

Drug ID:  NPD3427
Drug Name:  Nortriptyline Hydrochloride
Molecular Formula:  C19H21N.ClH
Canonical SMILES:  CNCCC=C1c2ccccc2CCc2c1cccc2.Cl
Standard InCHI:  InChI=1S/C19H21N.ClH/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;/h2-5,7-11,20H,6,12-14H2,1H3;1H
Standard InCHIKey:  SHAYBENGXDALFF-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3427

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 1.0 NPC133162
Intermediate Similarity 0.8272 NPC139658
Intermediate Similarity 0.8242 NPC329430
Intermediate Similarity 0.814 NPC169016
Intermediate Similarity 0.7955 NPC258046
Intermediate Similarity 0.7865 NPC60408
Intermediate Similarity 0.7717 NPC470926
Intermediate Similarity 0.7711 NPC276699
Intermediate Similarity 0.7654 NPC229235
Intermediate Similarity 0.7647 NPC12857
Intermediate Similarity 0.7614 NPC119677
Intermediate Similarity 0.759 NPC122327
Intermediate Similarity 0.759 NPC112609
Intermediate Similarity 0.759 NPC113000
Intermediate Similarity 0.7531 NPC246822
Intermediate Similarity 0.7531 NPC213570
Intermediate Similarity 0.7531 NPC139416
Intermediate Similarity 0.7529 NPC290638
Intermediate Similarity 0.747 NPC54269
Intermediate Similarity 0.7468 NPC155172
Intermediate Similarity 0.7468 NPC291066
Intermediate Similarity 0.7436 NPC22786
Intermediate Similarity 0.7436 NPC71009
Intermediate Similarity 0.7416 NPC104070
Intermediate Similarity 0.7386 NPC231986
Intermediate Similarity 0.7349 NPC280135
Intermediate Similarity 0.7349 NPC193578
Intermediate Similarity 0.7349 NPC158028
Intermediate Similarity 0.7349 NPC1008
Intermediate Similarity 0.7349 NPC87099
Intermediate Similarity 0.7349 NPC226999
Intermediate Similarity 0.7349 NPC135433
Intermediate Similarity 0.7349 NPC39799
Intermediate Similarity 0.7342 NPC113670
Intermediate Similarity 0.7326 NPC98269
Intermediate Similarity 0.7326 NPC325662
Intermediate Similarity 0.7308 NPC238023
Intermediate Similarity 0.7308 NPC310758
Intermediate Similarity 0.7308 NPC210849
Intermediate Similarity 0.7308 NPC246588
Intermediate Similarity 0.7284 NPC267443
Intermediate Similarity 0.7229 NPC251490
Intermediate Similarity 0.7229 NPC263385
Intermediate Similarity 0.7229 NPC72670
Intermediate Similarity 0.7209 NPC271642
Intermediate Similarity 0.7159 NPC159661
Intermediate Similarity 0.7126 NPC3190
Intermediate Similarity 0.7126 NPC249018
Intermediate Similarity 0.7108 NPC200936
Intermediate Similarity 0.7093 NPC98976
Intermediate Similarity 0.7093 NPC307195
Intermediate Similarity 0.7089 NPC135924
Intermediate Similarity 0.7079 NPC315216
Intermediate Similarity 0.7073 NPC6107
Intermediate Similarity 0.7059 NPC1901
Intermediate Similarity 0.7051 NPC36357
Intermediate Similarity 0.7051 NPC114327
Intermediate Similarity 0.7037 NPC198023
Intermediate Similarity 0.7037 NPC32312
Intermediate Similarity 0.703 NPC239854
Intermediate Similarity 0.7024 NPC219246
Intermediate Similarity 0.7011 NPC110264
Intermediate Similarity 0.7 NPC29680
Intermediate Similarity 0.7 NPC66517
Remote Similarity 0.6988 NPC22760
Remote Similarity 0.6977 NPC258492
Remote Similarity 0.6977 NPC96835
Remote Similarity 0.6951 NPC289915
Remote Similarity 0.6951 NPC178527
Remote Similarity 0.6951 NPC113837
Remote Similarity 0.6939 NPC108339
Remote Similarity 0.6923 NPC65873
Remote Similarity 0.6923 NPC120441
Remote Similarity 0.6923 NPC212114
Remote Similarity 0.6923 NPC300345
Remote Similarity 0.6914 NPC45756
Remote Similarity 0.6914 NPC88566
Remote Similarity 0.6914 NPC21211
Remote Similarity 0.6905 NPC473206
Remote Similarity 0.6905 NPC297358
Remote Similarity 0.6875 NPC150196
Remote Similarity 0.6875 NPC248705
Remote Similarity 0.6875 NPC54368
Remote Similarity 0.6869 NPC471320
Remote Similarity 0.6869 NPC471319
Remote Similarity 0.686 NPC244738
Remote Similarity 0.6854 NPC66270
Remote Similarity 0.6854 NPC245896
Remote Similarity 0.6854 NPC255345
Remote Similarity 0.6837 NPC322040
Remote Similarity 0.6837 NPC469330
Remote Similarity 0.6829 NPC264470
Remote Similarity 0.6809 NPC203076
Remote Similarity 0.6795 NPC198841
Remote Similarity 0.6795 NPC269586
Remote Similarity 0.679 NPC200745
Remote Similarity 0.6786 NPC320656
Remote Similarity 0.6765 NPC474582
Remote Similarity 0.675 NPC147062
Remote Similarity 0.6739 NPC14326
Remote Similarity 0.6707 NPC50266
Remote Similarity 0.6703 NPC50063
Remote Similarity 0.6667 NPC277704
Remote Similarity 0.6667 NPC7067
Remote Similarity 0.6667 NPC149436
Remote Similarity 0.6667 NPC474088
Remote Similarity 0.6625 NPC64270
Remote Similarity 0.6625 NPC8235
Remote Similarity 0.6598 NPC176858
Remote Similarity 0.6566 NPC108800
Remote Similarity 0.6556 NPC9796
Remote Similarity 0.6548 NPC36440
Remote Similarity 0.6543 NPC169110
Remote Similarity 0.6531 NPC191444
Remote Similarity 0.6531 NPC172128
Remote Similarity 0.6526 NPC3210
Remote Similarity 0.6522 NPC475573
Remote Similarity 0.6522 NPC475289
Remote Similarity 0.6509 NPC474695
Remote Similarity 0.6466 NPC475915
Remote Similarity 0.6452 NPC242628
Remote Similarity 0.6442 NPC316797
Remote Similarity 0.6421 NPC95429
Remote Similarity 0.6413 NPC272260
Remote Similarity 0.6404 NPC299134
Remote Similarity 0.6392 NPC305602
Remote Similarity 0.6392 NPC473031
Remote Similarity 0.6392 NPC17497
Remote Similarity 0.6389 NPC434
Remote Similarity 0.6389 NPC79618
Remote Similarity 0.6381 NPC327226
Remote Similarity 0.6355 NPC167336
Remote Similarity 0.6355 NPC474559
Remote Similarity 0.6344 NPC164449
Remote Similarity 0.6344 NPC184030
Remote Similarity 0.633 NPC77294
Remote Similarity 0.6327 NPC30445
Remote Similarity 0.6327 NPC12429
Remote Similarity 0.6325 NPC273830
Remote Similarity 0.6322 NPC5324
Remote Similarity 0.6296 NPC473498
Remote Similarity 0.6292 NPC212463
Remote Similarity 0.6263 NPC470877
Remote Similarity 0.6263 NPC298115
Remote Similarity 0.6262 NPC275467
Remote Similarity 0.6262 NPC226778
Remote Similarity 0.6262 NPC304761
Remote Similarity 0.6262 NPC150254
Remote Similarity 0.6262 NPC147000
Remote Similarity 0.625 NPC267704
Remote Similarity 0.6238 NPC473661
Remote Similarity 0.6237 NPC151405
Remote Similarity 0.6237 NPC139901
Remote Similarity 0.6226 NPC291610
Remote Similarity 0.6211 NPC73637
Remote Similarity 0.6211 NPC121478
Remote Similarity 0.6204 NPC473418
Remote Similarity 0.6204 NPC67043
Remote Similarity 0.62 NPC209764
Remote Similarity 0.62 NPC26224
Remote Similarity 0.62 NPC159178
Remote Similarity 0.62 NPC141139
Remote Similarity 0.62 NPC121872
Remote Similarity 0.62 NPC471307
Remote Similarity 0.62 NPC78041
Remote Similarity 0.62 NPC74936
Remote Similarity 0.6196 NPC179726
Remote Similarity 0.6186 NPC475710
Remote Similarity 0.618 NPC125144
Remote Similarity 0.618 NPC121708
Remote Similarity 0.6176 NPC246757
Remote Similarity 0.6176 NPC291070
Remote Similarity 0.617 NPC192623
Remote Similarity 0.6154 NPC311242
Remote Similarity 0.6147 NPC45033
Remote Similarity 0.6139 NPC125226
Remote Similarity 0.6139 NPC220596
Remote Similarity 0.6129 NPC103488
Remote Similarity 0.6126 NPC65855
Remote Similarity 0.6126 NPC292758
Remote Similarity 0.6126 NPC24777
Remote Similarity 0.6098 NPC40488
Remote Similarity 0.6092 NPC52330
Remote Similarity 0.6078 NPC59677
Remote Similarity 0.6071 NPC319579
Remote Similarity 0.6071 NPC45255
Remote Similarity 0.6066 NPC119326
Remote Similarity 0.6066 NPC252794
Remote Similarity 0.6061 NPC471638
Remote Similarity 0.6061 NPC69057
Remote Similarity 0.6061 NPC53492
Remote Similarity 0.605 NPC71684
Remote Similarity 0.6042 NPC475199
Remote Similarity 0.6042 NPC283012
Remote Similarity 0.604 NPC277277
Remote Similarity 0.6034 NPC313673
Remote Similarity 0.6023 NPC311343
Remote Similarity 0.6022 NPC298023
Remote Similarity 0.602 NPC99482
Remote Similarity 0.6019 NPC474974

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  263.17
ALogP  -0.1975
MLogP  3.44
XLogP  8.036
HDA  1
HBD  1
Rotatable Bonds  4
TPSA  12.03
RO5 Violation  1