Drug Information

Drug ID:  NPD4526
Drug Name:  Bepotastine Besylate
Molecular Formula:  C21H25ClN2O3.C6H6O3S
Canonical SMILES:  OS(=O)(=O)c1ccccc1.OC(=O)CCCN1CCC(CC1)O[C@H](c1ccccn1)c1ccc(cc1)Cl
Standard InCHI:  InChI=1S/C21H25ClN2O3.C6H6O3S/c22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26;7-10(8,9)6-4-2-1-3-5-6/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26);1-5H,(H,7,8,9)/t21-;/m0./s1
Standard InCHIKey:  UDGHXQPQKQPSBB-BOXHHOBZSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD4526

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 0.773 NPC150048
Intermediate Similarity 0.773 NPC203754
Intermediate Similarity 0.7705 NPC116961
Intermediate Similarity 0.7704 NPC123395
Intermediate Similarity 0.7672 NPC207851
Intermediate Similarity 0.7416 NPC314270
Intermediate Similarity 0.7411 NPC135950
Intermediate Similarity 0.7396 NPC320394
Intermediate Similarity 0.7391 NPC317752
Intermediate Similarity 0.7374 NPC109922
Intermediate Similarity 0.7361 NPC300114
Intermediate Similarity 0.7356 NPC315348
Intermediate Similarity 0.7356 NPC32002
Intermediate Similarity 0.7351 NPC471178
Intermediate Similarity 0.7343 NPC318299
Intermediate Similarity 0.7337 NPC471177
Intermediate Similarity 0.7337 NPC124542
Intermediate Similarity 0.7337 NPC59779
Intermediate Similarity 0.7316 NPC211997
Intermediate Similarity 0.7312 NPC41717
Intermediate Similarity 0.7306 NPC284559
Intermediate Similarity 0.7304 NPC317373
Intermediate Similarity 0.7288 NPC471323
Intermediate Similarity 0.7283 NPC328029
Intermediate Similarity 0.7264 NPC103361
Intermediate Similarity 0.7263 NPC134586
Intermediate Similarity 0.7255 NPC47059
Intermediate Similarity 0.7255 NPC264166
Intermediate Similarity 0.7255 NPC274291
Intermediate Similarity 0.7255 NPC329708
Intermediate Similarity 0.7255 NPC118832
Intermediate Similarity 0.7255 NPC165349
Intermediate Similarity 0.7255 NPC327592
Intermediate Similarity 0.7241 NPC471312
Intermediate Similarity 0.7214 NPC239954
Intermediate Similarity 0.7186 NPC198673
Intermediate Similarity 0.7158 NPC477976
Intermediate Similarity 0.7136 NPC309498
Intermediate Similarity 0.7136 NPC315804
Intermediate Similarity 0.7136 NPC313804
Intermediate Similarity 0.7129 NPC168911
Intermediate Similarity 0.7117 NPC177056
Intermediate Similarity 0.7112 NPC469813
Intermediate Similarity 0.7112 NPC476446
Intermediate Similarity 0.7112 NPC78375
Intermediate Similarity 0.7105 NPC249614
Intermediate Similarity 0.7092 NPC282103
Intermediate Similarity 0.7089 NPC197141
Intermediate Similarity 0.7087 NPC289086
Intermediate Similarity 0.7086 NPC29702
Intermediate Similarity 0.7074 NPC477975
Intermediate Similarity 0.7073 NPC328596
Intermediate Similarity 0.7073 NPC328318
Intermediate Similarity 0.7064 NPC186351
Intermediate Similarity 0.7052 NPC256893
Intermediate Similarity 0.7044 NPC212213
Intermediate Similarity 0.7041 NPC284678
Intermediate Similarity 0.7031 NPC469938
Intermediate Similarity 0.7026 NPC219963
Intermediate Similarity 0.7011 NPC322488
Intermediate Similarity 0.7005 NPC62510
Intermediate Similarity 0.7 NPC123839
Remote Similarity 0.6976 NPC470279
Remote Similarity 0.6968 NPC315062
Remote Similarity 0.6968 NPC71079
Remote Similarity 0.6963 NPC206343
Remote Similarity 0.6963 NPC477908
Remote Similarity 0.6961 NPC474916
Remote Similarity 0.6951 NPC327769
Remote Similarity 0.695 NPC469489
Remote Similarity 0.6941 NPC473506
Remote Similarity 0.6939 NPC161887
Remote Similarity 0.6939 NPC71037
Remote Similarity 0.6939 NPC266551
Remote Similarity 0.6938 NPC193238
Remote Similarity 0.6938 NPC475835
Remote Similarity 0.6935 NPC325775
Remote Similarity 0.6935 NPC328798
Remote Similarity 0.6931 NPC474217
Remote Similarity 0.6927 NPC50997
Remote Similarity 0.6927 NPC76565
Remote Similarity 0.6927 NPC160127
Remote Similarity 0.6927 NPC158129
Remote Similarity 0.6919 NPC107287
Remote Similarity 0.6915 NPC138370
Remote Similarity 0.6915 NPC127647
Remote Similarity 0.6909 NPC475600
Remote Similarity 0.6909 NPC476110
Remote Similarity 0.6909 NPC87152
Remote Similarity 0.6909 NPC192712
Remote Similarity 0.6909 NPC475631
Remote Similarity 0.6908 NPC193761
Remote Similarity 0.6907 NPC84347
Remote Similarity 0.6905 NPC266249
Remote Similarity 0.6905 NPC63041
Remote Similarity 0.6904 NPC48938
Remote Similarity 0.6904 NPC322043
Remote Similarity 0.6904 NPC325093
Remote Similarity 0.6898 NPC472555
Remote Similarity 0.6897 NPC20593
Remote Similarity 0.6895 NPC475137
Remote Similarity 0.6895 NPC475498
Remote Similarity 0.6892 NPC267853
Remote Similarity 0.689 NPC238457
Remote Similarity 0.6882 NPC263455
Remote Similarity 0.6878 NPC177404
Remote Similarity 0.6878 NPC471977
Remote Similarity 0.6878 NPC149708
Remote Similarity 0.6878 NPC475644
Remote Similarity 0.6878 NPC471190
Remote Similarity 0.6878 NPC470486
Remote Similarity 0.6875 NPC316411
Remote Similarity 0.6872 NPC472550
Remote Similarity 0.6872 NPC48042
Remote Similarity 0.6872 NPC304179
Remote Similarity 0.6869 NPC472119
Remote Similarity 0.6861 NPC244897
Remote Similarity 0.6859 NPC278366
Remote Similarity 0.6859 NPC127730
Remote Similarity 0.6857 NPC316403
Remote Similarity 0.6854 NPC114310
Remote Similarity 0.6854 NPC472098
Remote Similarity 0.6854 NPC118940
Remote Similarity 0.6854 NPC292517
Remote Similarity 0.6847 NPC103230
Remote Similarity 0.6842 NPC97367
Remote Similarity 0.6842 NPC102423
Remote Similarity 0.6842 NPC311276
Remote Similarity 0.6839 NPC273532
Remote Similarity 0.6834 NPC318020
Remote Similarity 0.6832 NPC114974
Remote Similarity 0.6831 NPC302159
Remote Similarity 0.6829 NPC267928
Remote Similarity 0.6827 NPC476874
Remote Similarity 0.6827 NPC57398
Remote Similarity 0.6825 NPC287208
Remote Similarity 0.6825 NPC131718
Remote Similarity 0.6818 NPC469358
Remote Similarity 0.6818 NPC327373
Remote Similarity 0.6816 NPC475596
Remote Similarity 0.6816 NPC182814
Remote Similarity 0.6816 NPC475303
Remote Similarity 0.6814 NPC104712
Remote Similarity 0.6809 NPC138018
Remote Similarity 0.6806 NPC85918
Remote Similarity 0.6804 NPC477911
Remote Similarity 0.6802 NPC317010
Remote Similarity 0.68 NPC194040
Remote Similarity 0.68 NPC170751
Remote Similarity 0.6796 NPC102008
Remote Similarity 0.6794 NPC317572
Remote Similarity 0.6792 NPC472752
Remote Similarity 0.6788 NPC473764
Remote Similarity 0.6788 NPC314940
Remote Similarity 0.6786 NPC14325
Remote Similarity 0.6786 NPC28848
Remote Similarity 0.6786 NPC30456
Remote Similarity 0.6782 NPC3715
Remote Similarity 0.6776 NPC472553
Remote Similarity 0.6776 NPC476467
Remote Similarity 0.6773 NPC57797
Remote Similarity 0.6773 NPC250807
Remote Similarity 0.6772 NPC84508
Remote Similarity 0.6766 NPC278434
Remote Similarity 0.6766 NPC472323
Remote Similarity 0.6765 NPC289786
Remote Similarity 0.6765 NPC226202
Remote Similarity 0.6765 NPC192306
Remote Similarity 0.6759 NPC477909
Remote Similarity 0.6759 NPC477907
Remote Similarity 0.6759 NPC30570
Remote Similarity 0.6759 NPC42678
Remote Similarity 0.6757 NPC122968
Remote Similarity 0.6757 NPC477787
Remote Similarity 0.6757 NPC328186
Remote Similarity 0.6757 NPC146824
Remote Similarity 0.6757 NPC228377
Remote Similarity 0.6755 NPC476464
Remote Similarity 0.6754 NPC263439
Remote Similarity 0.6753 NPC14651
Remote Similarity 0.6753 NPC121658
Remote Similarity 0.6751 NPC133261
Remote Similarity 0.675 NPC280290
Remote Similarity 0.675 NPC20249
Remote Similarity 0.6749 NPC129909
Remote Similarity 0.6748 NPC90229
Remote Similarity 0.6744 NPC165837
Remote Similarity 0.6742 NPC473850
Remote Similarity 0.6741 NPC473689
Remote Similarity 0.6741 NPC292416
Remote Similarity 0.6739 NPC316224
Remote Similarity 0.6737 NPC25899
Remote Similarity 0.6737 NPC322644
Remote Similarity 0.6735 NPC472122
Remote Similarity 0.6735 NPC24594
Remote Similarity 0.6734 NPC472104
Remote Similarity 0.6734 NPC143533
Remote Similarity 0.6733 NPC44354
Remote Similarity 0.6732 NPC57994
Remote Similarity 0.6732 NPC289299

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  388.16
ALogP  -0.5316
MLogP  3.11
XLogP  3.986
HDA  5
HBD  1
Rotatable Bonds  10
TPSA  62.66
RO5 Violation  0