Drug Information

Drug ID:  NPD272
Drug Name:  Nikethamide
Molecular Formula:  C10H14N2O
Canonical SMILES:  CCN(C(=O)c1cccnc1)CC
Standard InCHI:  InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3
Standard InCHIKey:  NCYVXEGFNDZQCU-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD272

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 0.8931 NPC471589
Intermediate Similarity 0.8417 NPC65408
Intermediate Similarity 0.8392 NPC467188
Intermediate Similarity 0.8322 NPC230085
Intermediate Similarity 0.8322 NPC159630
Intermediate Similarity 0.8276 NPC105811
Intermediate Similarity 0.8261 NPC330326
Intermediate Similarity 0.8231 NPC472260
Intermediate Similarity 0.8108 NPC70406
Intermediate Similarity 0.8054 NPC107287
Intermediate Similarity 0.8027 NPC112741
Intermediate Similarity 0.8014 NPC167400
Intermediate Similarity 0.8 NPC209362
Intermediate Similarity 0.8 NPC263455
Intermediate Similarity 0.7933 NPC251391
Intermediate Similarity 0.7933 NPC312860
Intermediate Similarity 0.7919 NPC313889
Intermediate Similarity 0.7881 NPC229055
Intermediate Similarity 0.7874 NPC76540
Intermediate Similarity 0.7829 NPC74357
Intermediate Similarity 0.7829 NPC27802
Intermediate Similarity 0.7821 NPC114637
Intermediate Similarity 0.7799 NPC469529
Intermediate Similarity 0.7778 NPC213914
Intermediate Similarity 0.7733 NPC123906
Intermediate Similarity 0.7721 NPC265605
Intermediate Similarity 0.7721 NPC48564
Intermediate Similarity 0.7721 NPC182570
Intermediate Similarity 0.7714 NPC313823
Intermediate Similarity 0.7692 NPC265100
Intermediate Similarity 0.7655 NPC114310
Intermediate Similarity 0.7643 NPC471313
Intermediate Similarity 0.7643 NPC471311
Intermediate Similarity 0.7556 NPC471402
Intermediate Similarity 0.7556 NPC297486
Intermediate Similarity 0.7556 NPC240136
Intermediate Similarity 0.7547 NPC70949
Intermediate Similarity 0.7535 NPC71236
Intermediate Similarity 0.7534 NPC472288
Intermediate Similarity 0.7532 NPC233380
Intermediate Similarity 0.7516 NPC217021
Intermediate Similarity 0.7516 NPC470679
Intermediate Similarity 0.75 NPC80681
Intermediate Similarity 0.75 NPC113812
Intermediate Similarity 0.75 NPC322488
Intermediate Similarity 0.7482 NPC290094
Intermediate Similarity 0.7451 NPC473878
Intermediate Similarity 0.7444 NPC235843
Intermediate Similarity 0.7434 NPC100726
Intermediate Similarity 0.7423 NPC476419
Intermediate Similarity 0.7405 NPC242116
Intermediate Similarity 0.7402 NPC83987
Intermediate Similarity 0.7394 NPC212125
Intermediate Similarity 0.7372 NPC91958
Intermediate Similarity 0.7365 NPC477003
Intermediate Similarity 0.7343 NPC89490
Intermediate Similarity 0.7324 NPC169625
Intermediate Similarity 0.7324 NPC202957
Intermediate Similarity 0.731 NPC471322
Intermediate Similarity 0.731 NPC324611
Intermediate Similarity 0.7305 NPC27740
Intermediate Similarity 0.7305 NPC476322
Intermediate Similarity 0.7292 NPC475090
Intermediate Similarity 0.7292 NPC329896
Intermediate Similarity 0.7292 NPC475105
Intermediate Similarity 0.7289 NPC73994
Intermediate Similarity 0.7273 NPC83774
Intermediate Similarity 0.7254 NPC146373
Intermediate Similarity 0.7254 NPC245244
Intermediate Similarity 0.7254 NPC166424
Intermediate Similarity 0.7246 NPC143603
Intermediate Similarity 0.7239 NPC249614
Intermediate Similarity 0.7233 NPC470680
Intermediate Similarity 0.7233 NPC100104
Intermediate Similarity 0.723 NPC29702
Intermediate Similarity 0.7197 NPC231655
Intermediate Similarity 0.7186 NPC317010
Intermediate Similarity 0.7186 NPC61011
Intermediate Similarity 0.7181 NPC471312
Intermediate Similarity 0.717 NPC293487
Intermediate Similarity 0.7162 NPC291517
Intermediate Similarity 0.716 NPC41717
Intermediate Similarity 0.7153 NPC306397
Intermediate Similarity 0.7143 NPC478184
Intermediate Similarity 0.7143 NPC478182
Intermediate Similarity 0.7134 NPC273532
Intermediate Similarity 0.7115 NPC471655
Intermediate Similarity 0.7099 NPC42372
Intermediate Similarity 0.7075 NPC256893
Intermediate Similarity 0.7063 NPC474492
Intermediate Similarity 0.7059 NPC46895
Intermediate Similarity 0.7055 NPC56233
Intermediate Similarity 0.7055 NPC476131
Intermediate Similarity 0.7048 NPC293216
Intermediate Similarity 0.7047 NPC23215
Intermediate Similarity 0.7042 NPC329825
Intermediate Similarity 0.7041 NPC191415
Intermediate Similarity 0.7034 NPC165370
Intermediate Similarity 0.7019 NPC473706
Intermediate Similarity 0.7018 NPC133003
Intermediate Similarity 0.7011 NPC476460
Intermediate Similarity 0.7007 NPC315320
Intermediate Similarity 0.7007 NPC69914
Remote Similarity 0.6993 NPC46358
Remote Similarity 0.6975 NPC478185
Remote Similarity 0.6964 NPC237188
Remote Similarity 0.6964 NPC284775
Remote Similarity 0.6964 NPC157583
Remote Similarity 0.6959 NPC101165
Remote Similarity 0.6951 NPC478183
Remote Similarity 0.6943 NPC102664
Remote Similarity 0.6928 NPC238499
Remote Similarity 0.6923 NPC248462
Remote Similarity 0.6923 NPC302159
Remote Similarity 0.6901 NPC102755
Remote Similarity 0.6892 NPC282398
Remote Similarity 0.6884 NPC473901
Remote Similarity 0.6879 NPC141612
Remote Similarity 0.6879 NPC135601
Remote Similarity 0.6879 NPC477974
Remote Similarity 0.6879 NPC17273
Remote Similarity 0.6868 NPC317701
Remote Similarity 0.6867 NPC32534
Remote Similarity 0.6867 NPC91895
Remote Similarity 0.686 NPC21429
Remote Similarity 0.6842 NPC470677
Remote Similarity 0.6842 NPC251722
Remote Similarity 0.6842 NPC314102
Remote Similarity 0.6833 NPC477004
Remote Similarity 0.6826 NPC54214
Remote Similarity 0.6821 NPC311282
Remote Similarity 0.6798 NPC135950
Remote Similarity 0.6795 NPC471323
Remote Similarity 0.6786 NPC84268
Remote Similarity 0.6782 NPC118084
Remote Similarity 0.676 NPC128244
Remote Similarity 0.6753 NPC316811
Remote Similarity 0.6753 NPC32002
Remote Similarity 0.6753 NPC315348
Remote Similarity 0.6752 NPC470440
Remote Similarity 0.675 NPC117032
Remote Similarity 0.6725 NPC12649
Remote Similarity 0.6725 NPC164340
Remote Similarity 0.6725 NPC11126
Remote Similarity 0.6724 NPC282103
Remote Similarity 0.6723 NPC114974
Remote Similarity 0.6713 NPC11863
Remote Similarity 0.6708 NPC281094
Remote Similarity 0.6708 NPC200214
Remote Similarity 0.669 NPC56856
Remote Similarity 0.6686 NPC24864
Remote Similarity 0.6686 NPC471997
Remote Similarity 0.6685 NPC216550
Remote Similarity 0.6667 NPC469489
Remote Similarity 0.6667 NPC64436
Remote Similarity 0.6667 NPC324091
Remote Similarity 0.6667 NPC207428
Remote Similarity 0.6667 NPC285923
Remote Similarity 0.6667 NPC328029
Remote Similarity 0.6648 NPC81535
Remote Similarity 0.6648 NPC304203
Remote Similarity 0.6648 NPC103361
Remote Similarity 0.6648 NPC326422
Remote Similarity 0.6645 NPC300299
Remote Similarity 0.6645 NPC110126
Remote Similarity 0.6627 NPC274981
Remote Similarity 0.6624 NPC190296
Remote Similarity 0.6623 NPC150259
Remote Similarity 0.6622 NPC135488
Remote Similarity 0.661 NPC255909
Remote Similarity 0.661 NPC103119
Remote Similarity 0.661 NPC44354
Remote Similarity 0.6608 NPC151635
Remote Similarity 0.6604 NPC478186
Remote Similarity 0.6593 NPC474916
Remote Similarity 0.659 NPC314281
Remote Similarity 0.659 NPC40530
Remote Similarity 0.6587 NPC2414
Remote Similarity 0.6575 NPC109922
Remote Similarity 0.6571 NPC467063
Remote Similarity 0.6571 NPC228835
Remote Similarity 0.6571 NPC207851
Remote Similarity 0.6571 NPC110158
Remote Similarity 0.657 NPC240088
Remote Similarity 0.657 NPC473380
Remote Similarity 0.6568 NPC471943
Remote Similarity 0.6568 NPC116961
Remote Similarity 0.6566 NPC194881
Remote Similarity 0.6561 NPC277157
Remote Similarity 0.6554 NPC151489
Remote Similarity 0.6541 NPC314372
Remote Similarity 0.6541 NPC285731
Remote Similarity 0.6538 NPC73767
Remote Similarity 0.6538 NPC167710
Remote Similarity 0.6538 NPC106824
Remote Similarity 0.6536 NPC138370
Remote Similarity 0.6534 NPC308931
Remote Similarity 0.6534 NPC99939
Remote Similarity 0.6534 NPC295158
Remote Similarity 0.6532 NPC265710

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  178.11
ALogP  0.0706
MLogP  2.23
XLogP  1.415
HDA  3
HBD  0
Rotatable Bonds  6
TPSA  33.2
RO5 Violation  0