Drug Information

Drug ID:  NPD6563
Drug Name:  Levocabastine Hydrochloride
Molecular Formula:  C26H29FN2O2.ClH
Canonical SMILES:  N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F.Cl
Standard InCHI:  InChI=1S/C26H29FN2O2.ClH/c1-19-17-29(16-15-26(19,24(30)31)21-5-3-2-4-6-21)23-11-13-25(18-28,14-12-23)20-7-9-22(27)10-8-20;/h2-10,19,23H,11-17H2,1H3,(H,30,31);1H/t19-,23-,25-,26-;/m1./s1
Standard InCHIKey:  OICFWWJHIMKBCD-VALQNVSPSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD6563

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 0.7951 NPC158854
Intermediate Similarity 0.7794 NPC313663
Intermediate Similarity 0.7576 NPC169485
Intermediate Similarity 0.7576 NPC84281
Intermediate Similarity 0.7576 NPC213126
Intermediate Similarity 0.7576 NPC317474
Intermediate Similarity 0.7576 NPC291027
Intermediate Similarity 0.7206 NPC285394
Intermediate Similarity 0.7203 NPC316906
Intermediate Similarity 0.7194 NPC69496
Intermediate Similarity 0.7063 NPC167336
Intermediate Similarity 0.7042 NPC245836
Intermediate Similarity 0.7042 NPC233910
Intermediate Similarity 0.7029 NPC474847
Remote Similarity 0.6992 NPC322598
Remote Similarity 0.6978 NPC65310
Remote Similarity 0.6977 NPC292758
Remote Similarity 0.6977 NPC65855
Remote Similarity 0.6929 NPC473418
Remote Similarity 0.6929 NPC476198
Remote Similarity 0.6923 NPC319579
Remote Similarity 0.6917 NPC86987
Remote Similarity 0.6917 NPC473573
Remote Similarity 0.6901 NPC157311
Remote Similarity 0.688 NPC133809
Remote Similarity 0.688 NPC136810
Remote Similarity 0.688 NPC128248
Remote Similarity 0.6875 NPC142326
Remote Similarity 0.6875 NPC94751
Remote Similarity 0.6864 NPC322387
Remote Similarity 0.6853 NPC246913
Remote Similarity 0.6853 NPC8761
Remote Similarity 0.6853 NPC44805
Remote Similarity 0.6833 NPC86670
Remote Similarity 0.6833 NPC274455
Remote Similarity 0.6833 NPC70940
Remote Similarity 0.6803 NPC153007
Remote Similarity 0.68 NPC12730
Remote Similarity 0.6797 NPC67043
Remote Similarity 0.6786 NPC4974
Remote Similarity 0.6736 NPC257390
Remote Similarity 0.6716 NPC33742
Remote Similarity 0.6692 NPC474584
Remote Similarity 0.6691 NPC470545
Remote Similarity 0.6691 NPC109151
Remote Similarity 0.669 NPC239990
Remote Similarity 0.669 NPC199738
Remote Similarity 0.669 NPC105114
Remote Similarity 0.669 NPC89923
Remote Similarity 0.669 NPC152850
Remote Similarity 0.669 NPC210950
Remote Similarity 0.669 NPC71933
Remote Similarity 0.6667 NPC95126
Remote Similarity 0.6667 NPC47667
Remote Similarity 0.6667 NPC478015
Remote Similarity 0.6667 NPC475002
Remote Similarity 0.6667 NPC478140
Remote Similarity 0.6667 NPC126859
Remote Similarity 0.6667 NPC259665
Remote Similarity 0.6667 NPC89769
Remote Similarity 0.6667 NPC478014
Remote Similarity 0.6667 NPC478016
Remote Similarity 0.6667 NPC471516
Remote Similarity 0.6643 NPC111428
Remote Similarity 0.6643 NPC473322
Remote Similarity 0.6642 NPC35850
Remote Similarity 0.6642 NPC470546
Remote Similarity 0.6642 NPC276949
Remote Similarity 0.6642 NPC471721
Remote Similarity 0.6641 NPC164859
Remote Similarity 0.6641 NPC329556
Remote Similarity 0.664 NPC324569
Remote Similarity 0.664 NPC122493
Remote Similarity 0.664 NPC10781
Remote Similarity 0.664 NPC293628
Remote Similarity 0.662 NPC477937
Remote Similarity 0.662 NPC136453
Remote Similarity 0.6618 NPC470544
Remote Similarity 0.6615 NPC327481
Remote Similarity 0.6614 NPC225079
Remote Similarity 0.6613 NPC172925
Remote Similarity 0.66 NPC161069
Remote Similarity 0.6599 NPC76785
Remote Similarity 0.6599 NPC151706
Remote Similarity 0.6599 NPC475598
Remote Similarity 0.6599 NPC79465
Remote Similarity 0.6599 NPC49577
Remote Similarity 0.6599 NPC476102
Remote Similarity 0.6599 NPC474787
Remote Similarity 0.6599 NPC293377
Remote Similarity 0.6599 NPC9687
Remote Similarity 0.6599 NPC475318
Remote Similarity 0.6599 NPC260045
Remote Similarity 0.6599 NPC118099
Remote Similarity 0.6599 NPC273907
Remote Similarity 0.6599 NPC474855
Remote Similarity 0.6599 NPC474811
Remote Similarity 0.6599 NPC90194
Remote Similarity 0.6596 NPC473938
Remote Similarity 0.6573 NPC305717
Remote Similarity 0.6571 NPC26285
Remote Similarity 0.6552 NPC255447
Remote Similarity 0.6549 NPC79698
Remote Similarity 0.6538 NPC471186
Remote Similarity 0.6535 NPC221825
Remote Similarity 0.6529 NPC329064
Remote Similarity 0.6525 NPC44830
Remote Similarity 0.6525 NPC35996
Remote Similarity 0.6525 NPC285773
Remote Similarity 0.6522 NPC310467
Remote Similarity 0.6522 NPC476750
Remote Similarity 0.6503 NPC278887
Remote Similarity 0.65 NPC71684
Remote Similarity 0.6489 NPC45033
Remote Similarity 0.6484 NPC264728
Remote Similarity 0.6483 NPC124802
Remote Similarity 0.6475 NPC9822
Remote Similarity 0.6471 NPC221275
Remote Similarity 0.6463 NPC244866
Remote Similarity 0.646 NPC73644
Remote Similarity 0.6449 NPC169328
Remote Similarity 0.6444 NPC93287
Remote Similarity 0.6443 NPC127741
Remote Similarity 0.6438 NPC211525
Remote Similarity 0.6438 NPC153694
Remote Similarity 0.6429 NPC138775
Remote Similarity 0.6429 NPC190663
Remote Similarity 0.6429 NPC80150
Remote Similarity 0.6429 NPC261947
Remote Similarity 0.6424 NPC476749
Remote Similarity 0.6423 NPC172128
Remote Similarity 0.6423 NPC188010
Remote Similarity 0.6419 NPC474473
Remote Similarity 0.6418 NPC313981
Remote Similarity 0.6414 NPC8305
Remote Similarity 0.6414 NPC66177
Remote Similarity 0.6414 NPC268763
Remote Similarity 0.6414 NPC40488
Remote Similarity 0.6405 NPC473922
Remote Similarity 0.64 NPC281104
Remote Similarity 0.64 NPC132636
Remote Similarity 0.6398 NPC63210
Remote Similarity 0.6398 NPC263709
Remote Similarity 0.6398 NPC148468
Remote Similarity 0.6398 NPC310403
Remote Similarity 0.6398 NPC97380
Remote Similarity 0.6398 NPC243673
Remote Similarity 0.6395 NPC473962
Remote Similarity 0.6389 NPC119326
Remote Similarity 0.6383 NPC316896
Remote Similarity 0.6378 NPC226041
Remote Similarity 0.6378 NPC311242
Remote Similarity 0.6378 NPC477767
Remote Similarity 0.6377 NPC212891
Remote Similarity 0.637 NPC329011
Remote Similarity 0.6364 NPC222466
Remote Similarity 0.6364 NPC274089
Remote Similarity 0.6364 NPC307020
Remote Similarity 0.6364 NPC191215
Remote Similarity 0.6357 NPC474582
Remote Similarity 0.635 NPC246904
Remote Similarity 0.6346 NPC94602
Remote Similarity 0.6338 NPC160493
Remote Similarity 0.6331 NPC45794
Remote Similarity 0.6328 NPC120393
Remote Similarity 0.6327 NPC126458
Remote Similarity 0.6319 NPC101719
Remote Similarity 0.6316 NPC150712
Remote Similarity 0.6312 NPC473297
Remote Similarity 0.6309 NPC132847
Remote Similarity 0.6304 NPC197470
Remote Similarity 0.6301 NPC469666
Remote Similarity 0.6301 NPC116057
Remote Similarity 0.6299 NPC469893
Remote Similarity 0.6296 NPC36495
Remote Similarity 0.6288 NPC105899
Remote Similarity 0.6286 NPC220698
Remote Similarity 0.6279 NPC476042
Remote Similarity 0.6271 NPC127343
Remote Similarity 0.6268 NPC56634
Remote Similarity 0.6268 NPC314192
Remote Similarity 0.626 NPC255676
Remote Similarity 0.626 NPC471317
Remote Similarity 0.6259 NPC325651
Remote Similarity 0.6258 NPC314114
Remote Similarity 0.6258 NPC225319
Remote Similarity 0.625 NPC66208
Remote Similarity 0.625 NPC239762
Remote Similarity 0.625 NPC469891
Remote Similarity 0.625 NPC471189
Remote Similarity 0.625 NPC163392
Remote Similarity 0.625 NPC471188
Remote Similarity 0.625 NPC469890
Remote Similarity 0.625 NPC288903
Remote Similarity 0.625 NPC469892
Remote Similarity 0.6242 NPC3202
Remote Similarity 0.6242 NPC149379
Remote Similarity 0.6242 NPC52059
Remote Similarity 0.6242 NPC470069
Remote Similarity 0.6241 NPC85560

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  420.22
ALogP  -0.5412
MLogP  3.77
XLogP  6.176
HDA  4
HBD  1
Rotatable Bonds  7
TPSA  64.33
RO5 Violation  1