Drug Information

Drug ID:  NPD6405
Drug Name:  Salmeterol Xinafoate
Molecular Formula:  C25H37NO4.C11H8O3
Canonical SMILES:  OC(=O)c1ccc2c(c1O)cccc2.OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O
Standard InCHI:  InChI=1S/C25H37NO4.C11H8O3/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21;12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2;1-6,12H,(H,13,14)
Standard InCHIKey:  XTZNCVSCVHTPAI-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD6405

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 0.848 NPC213
Intermediate Similarity 0.848 NPC10286
Intermediate Similarity 0.8182 NPC307020
Intermediate Similarity 0.8145 NPC290566
Intermediate Similarity 0.8145 NPC145638
Intermediate Similarity 0.8 NPC322366
Intermediate Similarity 0.7923 NPC137096
Intermediate Similarity 0.7868 NPC236347
Intermediate Similarity 0.7868 NPC323775
Intermediate Similarity 0.7829 NPC473137
Intermediate Similarity 0.7795 NPC475018
Intermediate Similarity 0.7714 NPC208757
Intermediate Similarity 0.7692 NPC214988
Intermediate Similarity 0.7692 NPC12656
Intermediate Similarity 0.7656 NPC44732
Intermediate Similarity 0.7638 NPC262365
Intermediate Similarity 0.7612 NPC115627
Intermediate Similarity 0.7612 NPC118522
Intermediate Similarity 0.7612 NPC169207
Intermediate Similarity 0.7612 NPC223451
Intermediate Similarity 0.7597 NPC308689
Intermediate Similarity 0.7586 NPC168861
Intermediate Similarity 0.7581 NPC40258
Intermediate Similarity 0.7581 NPC7686
Intermediate Similarity 0.7581 NPC91461
Intermediate Similarity 0.7548 NPC22014
Intermediate Similarity 0.7538 NPC42911
Intermediate Similarity 0.7538 NPC290353
Intermediate Similarity 0.7538 NPC153795
Intermediate Similarity 0.7538 NPC43525
Intermediate Similarity 0.7532 NPC195392
Intermediate Similarity 0.75 NPC61885
Intermediate Similarity 0.75 NPC63698
Intermediate Similarity 0.75 NPC213730
Intermediate Similarity 0.75 NPC271808
Intermediate Similarity 0.748 NPC92623
Intermediate Similarity 0.748 NPC135464
Intermediate Similarity 0.7464 NPC62101
Intermediate Similarity 0.7464 NPC95733
Intermediate Similarity 0.7462 NPC165770
Intermediate Similarity 0.7462 NPC4493
Intermediate Similarity 0.7462 NPC225679
Intermediate Similarity 0.7462 NPC476632
Intermediate Similarity 0.744 NPC327226
Intermediate Similarity 0.7419 NPC51333
Intermediate Similarity 0.7419 NPC125732
Intermediate Similarity 0.7419 NPC78119
Intermediate Similarity 0.7419 NPC216468
Intermediate Similarity 0.7419 NPC132078
Intermediate Similarity 0.7415 NPC204546
Intermediate Similarity 0.7413 NPC267237
Intermediate Similarity 0.741 NPC29477
Intermediate Similarity 0.741 NPC318965
Intermediate Similarity 0.7407 NPC283760
Intermediate Similarity 0.7407 NPC151197
Intermediate Similarity 0.7405 NPC228425
Intermediate Similarity 0.7402 NPC233396
Intermediate Similarity 0.7402 NPC474839
Intermediate Similarity 0.7402 NPC154899
Intermediate Similarity 0.7388 NPC476266
Intermediate Similarity 0.7385 NPC63345
Intermediate Similarity 0.7381 NPC168829
Intermediate Similarity 0.7376 NPC274717
Intermediate Similarity 0.7368 NPC474486
Intermediate Similarity 0.7364 NPC24101
Intermediate Similarity 0.7364 NPC96224
Intermediate Similarity 0.7358 NPC209377
Intermediate Similarity 0.7357 NPC276212
Intermediate Similarity 0.7348 NPC117846
Intermediate Similarity 0.7348 NPC261343
Intermediate Similarity 0.7343 NPC149379
Intermediate Similarity 0.7333 NPC85276
Intermediate Similarity 0.7329 NPC318591
Intermediate Similarity 0.7329 NPC231163
Intermediate Similarity 0.7323 NPC226778
Intermediate Similarity 0.7323 NPC288411
Intermediate Similarity 0.7323 NPC119860
Intermediate Similarity 0.7323 NPC150254
Intermediate Similarity 0.7323 NPC147000
Intermediate Similarity 0.7323 NPC304761
Intermediate Similarity 0.7313 NPC473556
Intermediate Similarity 0.7313 NPC301651
Intermediate Similarity 0.7312 NPC56887
Intermediate Similarity 0.7312 NPC193853
Intermediate Similarity 0.7312 NPC223077
Intermediate Similarity 0.7308 NPC265211
Intermediate Similarity 0.7308 NPC306045
Intermediate Similarity 0.7305 NPC17374
Intermediate Similarity 0.7297 NPC326241
Intermediate Similarity 0.7293 NPC107240
Intermediate Similarity 0.7286 NPC285040
Intermediate Similarity 0.7286 NPC136112
Intermediate Similarity 0.7286 NPC17809
Intermediate Similarity 0.7286 NPC320242
Intermediate Similarity 0.7286 NPC102540
Intermediate Similarity 0.7286 NPC103420
Intermediate Similarity 0.7286 NPC188022
Intermediate Similarity 0.7286 NPC141739
Intermediate Similarity 0.7286 NPC81641
Intermediate Similarity 0.728 NPC128723
Intermediate Similarity 0.7279 NPC197921
Intermediate Similarity 0.7273 NPC166995
Intermediate Similarity 0.7266 NPC99557
Intermediate Similarity 0.7266 NPC219286
Intermediate Similarity 0.7266 NPC328267
Intermediate Similarity 0.7266 NPC138942
Intermediate Similarity 0.7266 NPC211218
Intermediate Similarity 0.7261 NPC79328
Intermediate Similarity 0.7259 NPC38458
Intermediate Similarity 0.7259 NPC311737
Intermediate Similarity 0.7252 NPC474149
Intermediate Similarity 0.7246 NPC31936
Intermediate Similarity 0.7246 NPC476633
Intermediate Similarity 0.7244 NPC68055
Intermediate Similarity 0.7234 NPC476353
Intermediate Similarity 0.7231 NPC153690
Intermediate Similarity 0.723 NPC469360
Intermediate Similarity 0.723 NPC91953
Intermediate Similarity 0.723 NPC323123
Intermediate Similarity 0.7226 NPC321133
Intermediate Similarity 0.7222 NPC155847
Intermediate Similarity 0.7222 NPC103799
Intermediate Similarity 0.7222 NPC294741
Intermediate Similarity 0.7222 NPC289381
Intermediate Similarity 0.7218 NPC123175
Intermediate Similarity 0.7218 NPC176730
Intermediate Similarity 0.7214 NPC106914
Intermediate Similarity 0.7214 NPC134195
Intermediate Similarity 0.7214 NPC197351
Intermediate Similarity 0.7214 NPC86502
Intermediate Similarity 0.7214 NPC246648
Intermediate Similarity 0.7211 NPC14600
Intermediate Similarity 0.7211 NPC204848
Intermediate Similarity 0.7211 NPC160607
Intermediate Similarity 0.7211 NPC41473
Intermediate Similarity 0.7211 NPC312770
Intermediate Similarity 0.7209 NPC248904
Intermediate Similarity 0.7209 NPC39664
Intermediate Similarity 0.7209 NPC470700
Intermediate Similarity 0.7209 NPC118286
Intermediate Similarity 0.7209 NPC39097
Intermediate Similarity 0.7209 NPC302681
Intermediate Similarity 0.7209 NPC109691
Intermediate Similarity 0.7206 NPC9592
Intermediate Similarity 0.7206 NPC131118
Intermediate Similarity 0.7206 NPC48781
Intermediate Similarity 0.7203 NPC93962
Intermediate Similarity 0.7197 NPC160931
Intermediate Similarity 0.7197 NPC187583
Intermediate Similarity 0.7197 NPC257430
Intermediate Similarity 0.7197 NPC37205
Intermediate Similarity 0.7197 NPC179002
Intermediate Similarity 0.7194 NPC174977
Intermediate Similarity 0.7194 NPC150026
Intermediate Similarity 0.7192 NPC64205
Intermediate Similarity 0.7185 NPC82963
Intermediate Similarity 0.7183 NPC477839
Intermediate Similarity 0.7176 NPC258056
Intermediate Similarity 0.7174 NPC24125
Intermediate Similarity 0.7174 NPC160854
Intermediate Similarity 0.7174 NPC469704
Intermediate Similarity 0.7174 NPC201402
Intermediate Similarity 0.7174 NPC469703
Intermediate Similarity 0.7164 NPC120280
Intermediate Similarity 0.7162 NPC219233
Intermediate Similarity 0.7162 NPC170170
Intermediate Similarity 0.7162 NPC211468
Intermediate Similarity 0.7154 NPC305603
Intermediate Similarity 0.7154 NPC61033
Intermediate Similarity 0.7154 NPC54844
Intermediate Similarity 0.7154 NPC142297
Intermediate Similarity 0.7153 NPC329595
Intermediate Similarity 0.7153 NPC326599
Intermediate Similarity 0.7153 NPC326966
Intermediate Similarity 0.7153 NPC182240
Intermediate Similarity 0.7153 NPC268572
Intermediate Similarity 0.7143 NPC38761
Intermediate Similarity 0.7143 NPC474160
Intermediate Similarity 0.7143 NPC228988
Intermediate Similarity 0.7143 NPC146422
Intermediate Similarity 0.7143 NPC318777
Intermediate Similarity 0.7143 NPC76465
Intermediate Similarity 0.7133 NPC471064
Intermediate Similarity 0.7133 NPC325651
Intermediate Similarity 0.7133 NPC53986
Intermediate Similarity 0.7133 NPC38664
Intermediate Similarity 0.7133 NPC311293
Intermediate Similarity 0.7133 NPC148366
Intermediate Similarity 0.7132 NPC292452
Intermediate Similarity 0.7132 NPC277588
Intermediate Similarity 0.7132 NPC470760
Intermediate Similarity 0.7132 NPC134829
Intermediate Similarity 0.7132 NPC246056
Intermediate Similarity 0.7123 NPC474453
Intermediate Similarity 0.7123 NPC470441
Intermediate Similarity 0.7122 NPC237667
Intermediate Similarity 0.7122 NPC469686
Intermediate Similarity 0.7121 NPC226401
Intermediate Similarity 0.7121 NPC120982
Intermediate Similarity 0.7121 NPC79793

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  415.27
ALogP  -3.6134
MLogP  3.66
XLogP  5.941
HDA  4
HBD  4
Rotatable Bonds  19
TPSA  81.95
RO5 Violation  2