Drug Information

Drug ID:  NPD2141
Drug Name:  Tripelennamine Hydrochloride
Molecular Formula:  C16H21N3.ClH
Canonical SMILES:  CN(CCN(c1ccccn1)Cc1ccccc1)C.Cl
Standard InCHI:  InChI=1S/C16H21N3.ClH/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15;/h3-11H,12-14H2,1-2H3;1H
Standard InCHIKey:  FSSICIQKZGUEAE-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2141

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 0.8231 NPC471402
Intermediate Similarity 0.8231 NPC240136
Intermediate Similarity 0.8231 NPC297486
Intermediate Similarity 0.8209 NPC476322
Intermediate Similarity 0.8168 NPC91958
Intermediate Similarity 0.811 NPC27802
Intermediate Similarity 0.8077 NPC84268
Intermediate Similarity 0.8058 NPC471322
Intermediate Similarity 0.8058 NPC101165
Intermediate Similarity 0.803 NPC143603
Intermediate Similarity 0.8 NPC290094
Intermediate Similarity 0.7985 NPC48564
Intermediate Similarity 0.7985 NPC182570
Intermediate Similarity 0.7985 NPC265605
Intermediate Similarity 0.7914 NPC476131
Intermediate Similarity 0.7911 NPC317054
Intermediate Similarity 0.7874 NPC76540
Intermediate Similarity 0.7857 NPC69914
Intermediate Similarity 0.7826 NPC169625
Intermediate Similarity 0.7826 NPC202957
Intermediate Similarity 0.7794 NPC329825
Intermediate Similarity 0.7778 NPC314102
Intermediate Similarity 0.7778 NPC251722
Intermediate Similarity 0.7737 NPC46358
Intermediate Similarity 0.7714 NPC89490
Intermediate Similarity 0.7671 NPC32002
Intermediate Similarity 0.7671 NPC316811
Intermediate Similarity 0.7671 NPC315348
Intermediate Similarity 0.766 NPC475105
Intermediate Similarity 0.766 NPC475090
Intermediate Similarity 0.766 NPC329896
Intermediate Similarity 0.7643 NPC471311
Intermediate Similarity 0.7643 NPC471313
Intermediate Similarity 0.7626 NPC166424
Intermediate Similarity 0.7626 NPC146373
Intermediate Similarity 0.7626 NPC245244
Intermediate Similarity 0.7606 NPC282398
Intermediate Similarity 0.7576 NPC235843
Intermediate Similarity 0.7554 NPC27740
Intermediate Similarity 0.7516 NPC470203
Intermediate Similarity 0.7452 NPC470204
Intermediate Similarity 0.7451 NPC40070
Intermediate Similarity 0.7431 NPC256893
Intermediate Similarity 0.7415 NPC150259
Intermediate Similarity 0.7402 NPC83987
Intermediate Similarity 0.7328 NPC231655
Intermediate Similarity 0.732 NPC470111
Intermediate Similarity 0.7208 NPC179787
Intermediate Similarity 0.7208 NPC201380
Intermediate Similarity 0.72 NPC73767
Intermediate Similarity 0.7197 NPC476219
Intermediate Similarity 0.7197 NPC476297
Intermediate Similarity 0.7192 NPC324611
Intermediate Similarity 0.719 NPC204141
Intermediate Similarity 0.7181 NPC471312
Intermediate Similarity 0.7181 NPC65408
Intermediate Similarity 0.7179 NPC470233
Intermediate Similarity 0.7174 NPC81561
Intermediate Similarity 0.7171 NPC20144
Intermediate Similarity 0.7161 NPC321911
Intermediate Similarity 0.7152 NPC469767
Intermediate Similarity 0.7152 NPC469779
Intermediate Similarity 0.7152 NPC469784
Intermediate Similarity 0.7152 NPC469768
Intermediate Similarity 0.7152 NPC469783
Intermediate Similarity 0.7152 NPC469761
Intermediate Similarity 0.7152 NPC469780
Intermediate Similarity 0.7143 NPC63545
Intermediate Similarity 0.7143 NPC143872
Intermediate Similarity 0.7133 NPC169433
Intermediate Similarity 0.7125 NPC122141
Intermediate Similarity 0.7105 NPC469766
Intermediate Similarity 0.7101 NPC148140
Intermediate Similarity 0.7097 NPC469811
Intermediate Similarity 0.7097 NPC477974
Intermediate Similarity 0.7089 NPC120070
Intermediate Similarity 0.7086 NPC110126
Intermediate Similarity 0.7083 NPC16659
Intermediate Similarity 0.7081 NPC225018
Intermediate Similarity 0.7067 NPC84911
Intermediate Similarity 0.7047 NPC198988
Intermediate Similarity 0.7044 NPC476464
Intermediate Similarity 0.7039 NPC469308
Intermediate Similarity 0.7037 NPC478182
Intermediate Similarity 0.7034 NPC212125
Intermediate Similarity 0.7025 NPC325903
Intermediate Similarity 0.7024 NPC265710
Intermediate Similarity 0.7 NPC469897
Intermediate Similarity 0.7 NPC29886
Intermediate Similarity 0.7 NPC96102
Intermediate Similarity 0.7 NPC261195
Intermediate Similarity 0.7 NPC129721
Remote Similarity 0.6987 NPC114209
Remote Similarity 0.6978 NPC476566
Remote Similarity 0.6974 NPC104483
Remote Similarity 0.6968 NPC86288
Remote Similarity 0.6959 NPC82295
Remote Similarity 0.6957 NPC477591
Remote Similarity 0.6957 NPC56765
Remote Similarity 0.6957 NPC300238
Remote Similarity 0.6954 NPC105127
Remote Similarity 0.6951 NPC49217
Remote Similarity 0.6941 NPC307191
Remote Similarity 0.6903 NPC471323
Remote Similarity 0.6901 NPC215519
Remote Similarity 0.6899 NPC53947
Remote Similarity 0.6894 NPC236711
Remote Similarity 0.6892 NPC315320
Remote Similarity 0.689 NPC2165
Remote Similarity 0.689 NPC195507
Remote Similarity 0.6887 NPC325252
Remote Similarity 0.6884 NPC473901
Remote Similarity 0.6879 NPC54102
Remote Similarity 0.6879 NPC162689
Remote Similarity 0.6864 NPC240088
Remote Similarity 0.6864 NPC473380
Remote Similarity 0.6863 NPC88097
Remote Similarity 0.686 NPC108011
Remote Similarity 0.6859 NPC314372
Remote Similarity 0.6855 NPC469975
Remote Similarity 0.6852 NPC293487
Remote Similarity 0.6842 NPC125746
Remote Similarity 0.6839 NPC190296
Remote Similarity 0.6839 NPC477977
Remote Similarity 0.6835 NPC282531
Remote Similarity 0.6832 NPC51054
Remote Similarity 0.6829 NPC90723
Remote Similarity 0.6828 NPC122718
Remote Similarity 0.6818 NPC2949
Remote Similarity 0.6818 NPC279081
Remote Similarity 0.6818 NPC59084
Remote Similarity 0.6815 NPC288838
Remote Similarity 0.6803 NPC306397
Remote Similarity 0.68 NPC472289
Remote Similarity 0.6792 NPC24678
Remote Similarity 0.6792 NPC105818
Remote Similarity 0.6774 NPC473868
Remote Similarity 0.6774 NPC63157
Remote Similarity 0.6774 NPC476454
Remote Similarity 0.6768 NPC471177
Remote Similarity 0.6768 NPC59779
Remote Similarity 0.6768 NPC124542
Remote Similarity 0.6752 NPC285731
Remote Similarity 0.6748 NPC318065
Remote Similarity 0.6748 NPC206819
Remote Similarity 0.6747 NPC478183
Remote Similarity 0.6735 NPC135488
Remote Similarity 0.6727 NPC478184
Remote Similarity 0.6727 NPC317105
Remote Similarity 0.6726 NPC82331
Remote Similarity 0.6718 NPC213774
Remote Similarity 0.6714 NPC288232
Remote Similarity 0.671 NPC230002
Remote Similarity 0.6708 NPC25008
Remote Similarity 0.6708 NPC469786
Remote Similarity 0.6708 NPC469760
Remote Similarity 0.6708 NPC200214
Remote Similarity 0.6708 NPC469765
Remote Similarity 0.6708 NPC138842
Remote Similarity 0.6708 NPC73952
Remote Similarity 0.6708 NPC469763
Remote Similarity 0.6708 NPC259644
Remote Similarity 0.6707 NPC215584
Remote Similarity 0.6707 NPC44773
Remote Similarity 0.6706 NPC280852
Remote Similarity 0.6689 NPC322488
Remote Similarity 0.6689 NPC165370
Remote Similarity 0.6687 NPC471178
Remote Similarity 0.6687 NPC286427
Remote Similarity 0.6667 NPC91895
Remote Similarity 0.6667 NPC70922
Remote Similarity 0.6667 NPC164664
Remote Similarity 0.6667 NPC212376
Remote Similarity 0.6667 NPC80597
Remote Similarity 0.6667 NPC75540
Remote Similarity 0.6667 NPC471957
Remote Similarity 0.6667 NPC211572
Remote Similarity 0.6667 NPC29702
Remote Similarity 0.6667 NPC116961
Remote Similarity 0.6667 NPC478185
Remote Similarity 0.6667 NPC216159
Remote Similarity 0.6647 NPC98187
Remote Similarity 0.6647 NPC56233
Remote Similarity 0.6646 NPC470440
Remote Similarity 0.6646 NPC159856
Remote Similarity 0.6646 NPC41257
Remote Similarity 0.6646 NPC467188
Remote Similarity 0.6646 NPC469525
Remote Similarity 0.6644 NPC471589
Remote Similarity 0.6627 NPC247987
Remote Similarity 0.6622 NPC476140
Remote Similarity 0.6608 NPC474958
Remote Similarity 0.6603 NPC115611
Remote Similarity 0.6597 NPC11863
Remote Similarity 0.6596 NPC143156
Remote Similarity 0.6587 NPC477975
Remote Similarity 0.6587 NPC17751
Remote Similarity 0.6587 NPC274229
Remote Similarity 0.6587 NPC280864
Remote Similarity 0.6585 NPC216643

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  255.17
ALogP  0.2658
MLogP  2.89
XLogP  4.26
HDA  3
HBD  0
Rotatable Bonds  8
TPSA  19.37
RO5 Violation  0