Drug Information

Drug ID:  NPD1794
Drug Name:  Alprenolol
Molecular Formula:  C15H23NO2
Canonical SMILES:  C=CCc1ccccc1OCC(CNC(C)C)O
Standard InCHI:  InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
Standard InCHIKey:  PAZJSJFMUHDSTF-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; DrugBank; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD1794

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 1.0 NPC136112
High Similarity 1.0 NPC141739
High Similarity 0.9667 NPC320242
High Similarity 0.9206 NPC97870
High Similarity 0.9206 NPC307123
High Similarity 0.9206 NPC247018
High Similarity 0.9147 NPC318591
High Similarity 0.9147 NPC231163
Intermediate Similarity 0.8382 NPC204546
Intermediate Similarity 0.813 NPC26524
Intermediate Similarity 0.8083 NPC194034
Intermediate Similarity 0.8 NPC328267
Intermediate Similarity 0.7787 NPC186469
Intermediate Similarity 0.7724 NPC97811
Intermediate Similarity 0.771 NPC211992
Intermediate Similarity 0.7686 NPC108875
Intermediate Similarity 0.7686 NPC38079
Intermediate Similarity 0.7652 NPC298486
Intermediate Similarity 0.7623 NPC470393
Intermediate Similarity 0.76 NPC46844
Intermediate Similarity 0.7578 NPC10286
Intermediate Similarity 0.7578 NPC213
Intermediate Similarity 0.754 NPC21890
Intermediate Similarity 0.7521 NPC51633
Intermediate Similarity 0.752 NPC24777
Intermediate Similarity 0.7483 NPC160931
Intermediate Similarity 0.7483 NPC37205
Intermediate Similarity 0.748 NPC115379
Intermediate Similarity 0.748 NPC42383
Intermediate Similarity 0.7464 NPC329595
Intermediate Similarity 0.7464 NPC326599
Intermediate Similarity 0.7462 NPC137096
Intermediate Similarity 0.7459 NPC192596
Intermediate Similarity 0.7417 NPC313918
Intermediate Similarity 0.7417 NPC95755
Intermediate Similarity 0.741 NPC274732
Intermediate Similarity 0.7405 NPC329980
Intermediate Similarity 0.7398 NPC304761
Intermediate Similarity 0.7398 NPC150254
Intermediate Similarity 0.7398 NPC147000
Intermediate Similarity 0.7398 NPC226778
Intermediate Similarity 0.7385 NPC290470
Intermediate Similarity 0.7385 NPC154256
Intermediate Similarity 0.7368 NPC473875
Intermediate Similarity 0.736 NPC251306
Intermediate Similarity 0.7355 NPC100870
Intermediate Similarity 0.7333 NPC140359
Intermediate Similarity 0.7333 NPC255253
Intermediate Similarity 0.7333 NPC13020
Intermediate Similarity 0.7328 NPC120075
Intermediate Similarity 0.7323 NPC95977
Intermediate Similarity 0.7302 NPC146530
Intermediate Similarity 0.7293 NPC263835
Intermediate Similarity 0.7293 NPC321133
Intermediate Similarity 0.7292 NPC83289
Intermediate Similarity 0.7292 NPC189724
Intermediate Similarity 0.7292 NPC212850
Intermediate Similarity 0.729 NPC469479
Intermediate Similarity 0.7287 NPC301735
Intermediate Similarity 0.7286 NPC208757
Intermediate Similarity 0.7285 NPC203424
Intermediate Similarity 0.7285 NPC206372
Intermediate Similarity 0.7273 NPC283616
Intermediate Similarity 0.7266 NPC55300
Intermediate Similarity 0.7266 NPC166837
Intermediate Similarity 0.7239 NPC475529
Intermediate Similarity 0.7237 NPC477564
Intermediate Similarity 0.7237 NPC2295
Intermediate Similarity 0.7237 NPC233926
Intermediate Similarity 0.7236 NPC327226
Intermediate Similarity 0.7226 NPC158900
Intermediate Similarity 0.7218 NPC256369
Intermediate Similarity 0.7209 NPC165646
Intermediate Similarity 0.7206 NPC474130
Intermediate Similarity 0.7203 NPC318429
Intermediate Similarity 0.72 NPC473855
Intermediate Similarity 0.72 NPC8302
Intermediate Similarity 0.7188 NPC137685
Intermediate Similarity 0.7185 NPC226712
Intermediate Similarity 0.7174 NPC236347
Intermediate Similarity 0.7174 NPC322366
Intermediate Similarity 0.7174 NPC323775
Intermediate Similarity 0.7163 NPC470392
Intermediate Similarity 0.7153 NPC253429
Intermediate Similarity 0.7153 NPC62101
Intermediate Similarity 0.7153 NPC95733
Intermediate Similarity 0.7152 NPC47672
Intermediate Similarity 0.7143 NPC326801
Intermediate Similarity 0.7143 NPC262641
Intermediate Similarity 0.7143 NPC101503
Intermediate Similarity 0.7143 NPC5932
Intermediate Similarity 0.7134 NPC124433
Intermediate Similarity 0.7134 NPC293871
Intermediate Similarity 0.7133 NPC264956
Intermediate Similarity 0.7132 NPC204535
Intermediate Similarity 0.7132 NPC195873
Intermediate Similarity 0.7132 NPC46586
Intermediate Similarity 0.7132 NPC71090
Intermediate Similarity 0.7122 NPC198798
Intermediate Similarity 0.7114 NPC245974
Intermediate Similarity 0.7111 NPC318357
Intermediate Similarity 0.7109 NPC474272
Intermediate Similarity 0.7109 NPC145638
Intermediate Similarity 0.7109 NPC290566
Intermediate Similarity 0.7101 NPC29477
Intermediate Similarity 0.7099 NPC235250
Intermediate Similarity 0.7099 NPC161696
Intermediate Similarity 0.7095 NPC247298
Intermediate Similarity 0.7095 NPC294249
Intermediate Similarity 0.709 NPC163036
Intermediate Similarity 0.7089 NPC469505
Intermediate Similarity 0.7087 NPC233320
Intermediate Similarity 0.7087 NPC258171
Intermediate Similarity 0.708 NPC217277
Intermediate Similarity 0.708 NPC211218
Intermediate Similarity 0.7073 NPC471576
Intermediate Similarity 0.7071 NPC283079
Intermediate Similarity 0.7071 NPC471306
Intermediate Similarity 0.7071 NPC471321
Intermediate Similarity 0.7068 NPC164386
Intermediate Similarity 0.7059 NPC290451
Intermediate Similarity 0.7059 NPC127389
Intermediate Similarity 0.7055 NPC477838
Intermediate Similarity 0.7055 NPC477837
Intermediate Similarity 0.7042 NPC471953
Intermediate Similarity 0.704 NPC305205
Intermediate Similarity 0.7037 NPC60589
Intermediate Similarity 0.7037 NPC469708
Intermediate Similarity 0.7037 NPC232295
Intermediate Similarity 0.7034 NPC474673
Intermediate Similarity 0.7031 NPC241549
Intermediate Similarity 0.7029 NPC109822
Intermediate Similarity 0.7029 NPC48990
Intermediate Similarity 0.7029 NPC94276
Intermediate Similarity 0.7029 NPC114901
Intermediate Similarity 0.7029 NPC293701
Intermediate Similarity 0.7021 NPC97326
Intermediate Similarity 0.7016 NPC214200
Intermediate Similarity 0.7016 NPC228400
Intermediate Similarity 0.7008 NPC41594
Intermediate Similarity 0.7 NPC291847
Intermediate Similarity 0.7 NPC473993
Intermediate Similarity 0.7 NPC321956
Intermediate Similarity 0.7 NPC469386
Remote Similarity 0.6993 NPC160692
Remote Similarity 0.6993 NPC76213
Remote Similarity 0.6993 NPC277669
Remote Similarity 0.6992 NPC303611
Remote Similarity 0.6992 NPC290515
Remote Similarity 0.6992 NPC226096
Remote Similarity 0.6992 NPC108606
Remote Similarity 0.6992 NPC164514
Remote Similarity 0.6985 NPC198734
Remote Similarity 0.6985 NPC83279
Remote Similarity 0.6985 NPC269242
Remote Similarity 0.6985 NPC469412
Remote Similarity 0.6978 NPC194519
Remote Similarity 0.6978 NPC207179
Remote Similarity 0.6978 NPC167571
Remote Similarity 0.6978 NPC470510
Remote Similarity 0.6978 NPC278552
Remote Similarity 0.6974 NPC207824
Remote Similarity 0.6974 NPC60538
Remote Similarity 0.697 NPC470837
Remote Similarity 0.6966 NPC470249
Remote Similarity 0.6963 NPC43275
Remote Similarity 0.6963 NPC135961
Remote Similarity 0.6963 NPC311595
Remote Similarity 0.6963 NPC32152
Remote Similarity 0.6963 NPC24474
Remote Similarity 0.696 NPC84325
Remote Similarity 0.6957 NPC307020
Remote Similarity 0.6953 NPC227894
Remote Similarity 0.695 NPC222572
Remote Similarity 0.695 NPC87224
Remote Similarity 0.6947 NPC474920
Remote Similarity 0.6947 NPC266116
Remote Similarity 0.694 NPC323948
Remote Similarity 0.6934 NPC470804
Remote Similarity 0.6929 NPC58607
Remote Similarity 0.6929 NPC227255
Remote Similarity 0.6929 NPC178284
Remote Similarity 0.6929 NPC191037
Remote Similarity 0.6928 NPC469711
Remote Similarity 0.6923 NPC88868
Remote Similarity 0.6923 NPC103799
Remote Similarity 0.6923 NPC231251
Remote Similarity 0.6923 NPC25067
Remote Similarity 0.6923 NPC118419
Remote Similarity 0.6918 NPC14600
Remote Similarity 0.6918 NPC312770
Remote Similarity 0.6918 NPC204848
Remote Similarity 0.6918 NPC193528
Remote Similarity 0.6918 NPC160607
Remote Similarity 0.6918 NPC41473
Remote Similarity 0.6917 NPC101139
Remote Similarity 0.6917 NPC303370
Remote Similarity 0.6917 NPC301321
Remote Similarity 0.6917 NPC71853
Remote Similarity 0.6912 NPC471308

Drug Structure

External Identifiers

TTD   DAP000941
DrugBank   DB00866
ChEMBL   CHEMBL266195
IUPHAR/BPS   563
PharmaGKB   PA164750541
KEGG Drug   D07156
PubChem CID   2119
ChEBI   51211
CAS Number  13655-52-2

Drug Properties

Molecular Weight  249.17
ALogP  0.0189
MLogP  2.78
XLogP  3.272
HDA  2
HBD  2
Rotatable Bonds  11
TPSA  41.49
RO5 Violation  0