Drug Information

Drug ID:  NPD601
Drug Name:  Isoproterenol
Molecular Formula:  C11H17NO3
Canonical SMILES:  CC(NCC(c1ccc(c(c1)O)O)O)C
Standard InCHI:  InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
Standard InCHIKey:  JWZZKOKVBUJMES-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD601

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 0.9675 NPC323775
High Similarity 0.9675 NPC236347
High Similarity 0.9106 NPC118522
High Similarity 0.9106 NPC169207
High Similarity 0.9106 NPC115627
High Similarity 0.8943 NPC85276
High Similarity 0.8862 NPC137096
High Similarity 0.876 NPC322366
High Similarity 0.8699 NPC213
High Similarity 0.8699 NPC10286
Intermediate Similarity 0.8496 NPC329595
Intermediate Similarity 0.8496 NPC326599
Intermediate Similarity 0.8455 NPC146422
Intermediate Similarity 0.8425 NPC37205
Intermediate Similarity 0.8425 NPC160931
Intermediate Similarity 0.8397 NPC318965
Intermediate Similarity 0.8296 NPC33338
Intermediate Similarity 0.8296 NPC302171
Intermediate Similarity 0.8296 NPC208757
Intermediate Similarity 0.8296 NPC300020
Intermediate Similarity 0.8211 NPC145638
Intermediate Similarity 0.8211 NPC290566
Intermediate Similarity 0.8071 NPC211468
Intermediate Similarity 0.8071 NPC219233
Intermediate Similarity 0.8071 NPC170170
Intermediate Similarity 0.8031 NPC142599
Intermediate Similarity 0.8014 NPC323123
Intermediate Similarity 0.797 NPC318777
Intermediate Similarity 0.797 NPC13020
Intermediate Similarity 0.797 NPC140359
Intermediate Similarity 0.797 NPC307020
Intermediate Similarity 0.7899 NPC88667
Intermediate Similarity 0.7895 NPC298486
Intermediate Similarity 0.7868 NPC16031
Intermediate Similarity 0.7868 NPC161593
Intermediate Similarity 0.7868 NPC145888
Intermediate Similarity 0.781 NPC271808
Intermediate Similarity 0.7805 NPC150254
Intermediate Similarity 0.7805 NPC304761
Intermediate Similarity 0.7805 NPC12278
Intermediate Similarity 0.7805 NPC147000
Intermediate Similarity 0.7805 NPC226778
Intermediate Similarity 0.7793 NPC294249
Intermediate Similarity 0.7744 NPC284078
Intermediate Similarity 0.7724 NPC68055
Intermediate Similarity 0.7721 NPC320242
Intermediate Similarity 0.7667 NPC277669
Intermediate Similarity 0.7667 NPC76213
Intermediate Similarity 0.7642 NPC327226
Intermediate Similarity 0.7642 NPC110764
Intermediate Similarity 0.7626 NPC262641
Intermediate Similarity 0.7622 NPC14600
Intermediate Similarity 0.7622 NPC160607
Intermediate Similarity 0.7622 NPC204848
Intermediate Similarity 0.7622 NPC41473
Intermediate Similarity 0.7622 NPC312770
Intermediate Similarity 0.7606 NPC64205
Intermediate Similarity 0.7594 NPC268572
Intermediate Similarity 0.7586 NPC204546
Intermediate Similarity 0.7576 NPC283468
Intermediate Similarity 0.7566 NPC2295
Intermediate Similarity 0.7566 NPC477564
Intermediate Similarity 0.7536 NPC321561
Intermediate Similarity 0.7533 NPC60538
Intermediate Similarity 0.7533 NPC207824
Intermediate Similarity 0.7519 NPC122009
Intermediate Similarity 0.7518 NPC97870
Intermediate Similarity 0.7518 NPC247018
Intermediate Similarity 0.7518 NPC307123
Intermediate Similarity 0.7517 NPC168861
Intermediate Similarity 0.75 NPC62258
Intermediate Similarity 0.75 NPC71266
Intermediate Similarity 0.75 NPC55617
Intermediate Similarity 0.7482 NPC477839
Intermediate Similarity 0.7482 NPC153990
Intermediate Similarity 0.7481 NPC120280
Intermediate Similarity 0.748 NPC131587
Intermediate Similarity 0.748 NPC125732
Intermediate Similarity 0.7466 NPC66518
Intermediate Similarity 0.7464 NPC141739
Intermediate Similarity 0.7464 NPC136112
Intermediate Similarity 0.7463 NPC283760
Intermediate Similarity 0.7448 NPC299583
Intermediate Similarity 0.7444 NPC120075
Intermediate Similarity 0.7442 NPC147634
Intermediate Similarity 0.7442 NPC120982
Intermediate Similarity 0.7442 NPC226401
Intermediate Similarity 0.7442 NPC79793
Intermediate Similarity 0.7442 NPC174096
Intermediate Similarity 0.744 NPC196479
Intermediate Similarity 0.7436 NPC158900
Intermediate Similarity 0.7419 NPC214200
Intermediate Similarity 0.7419 NPC155847
Intermediate Similarity 0.7419 NPC289381
Intermediate Similarity 0.7419 NPC228400
Intermediate Similarity 0.7407 NPC329969
Intermediate Similarity 0.7405 NPC471485
Intermediate Similarity 0.7398 NPC290515
Intermediate Similarity 0.7398 NPC108606
Intermediate Similarity 0.7398 NPC109955
Intermediate Similarity 0.7398 NPC164514
Intermediate Similarity 0.7398 NPC226096
Intermediate Similarity 0.7398 NPC303611
Intermediate Similarity 0.7385 NPC179002
Intermediate Similarity 0.7385 NPC257430
Intermediate Similarity 0.7385 NPC187583
Intermediate Similarity 0.7379 NPC214988
Intermediate Similarity 0.7379 NPC253429
Intermediate Similarity 0.7357 NPC291847
Intermediate Similarity 0.7333 NPC181969
Intermediate Similarity 0.7333 NPC320987
Intermediate Similarity 0.7333 NPC477803
Intermediate Similarity 0.731 NPC301050
Intermediate Similarity 0.731 NPC131204
Intermediate Similarity 0.7299 NPC470804
Intermediate Similarity 0.7299 NPC476343
Intermediate Similarity 0.7299 NPC211992
Intermediate Similarity 0.7285 NPC321505
Intermediate Similarity 0.7285 NPC277857
Intermediate Similarity 0.7285 NPC191376
Intermediate Similarity 0.7285 NPC115144
Intermediate Similarity 0.7285 NPC179825
Intermediate Similarity 0.7279 NPC251439
Intermediate Similarity 0.7279 NPC148615
Intermediate Similarity 0.7279 NPC35071
Intermediate Similarity 0.7279 NPC177475
Intermediate Similarity 0.7273 NPC130595
Intermediate Similarity 0.7273 NPC214869
Intermediate Similarity 0.7273 NPC93882
Intermediate Similarity 0.7273 NPC264558
Intermediate Similarity 0.7273 NPC149379
Intermediate Similarity 0.7266 NPC105513
Intermediate Similarity 0.7266 NPC477814
Intermediate Similarity 0.7261 NPC59028
Intermediate Similarity 0.7261 NPC92191
Intermediate Similarity 0.726 NPC318591
Intermediate Similarity 0.726 NPC193528
Intermediate Similarity 0.726 NPC231163
Intermediate Similarity 0.7259 NPC255675
Intermediate Similarity 0.7258 NPC474073
Intermediate Similarity 0.7244 NPC120719
Intermediate Similarity 0.7244 NPC147091
Intermediate Similarity 0.7241 NPC6913
Intermediate Similarity 0.7239 NPC477020
Intermediate Similarity 0.7239 NPC281686
Intermediate Similarity 0.7239 NPC106551
Intermediate Similarity 0.7239 NPC66341
Intermediate Similarity 0.7239 NPC192135
Intermediate Similarity 0.7239 NPC221049
Intermediate Similarity 0.7239 NPC188867
Intermediate Similarity 0.7237 NPC135538
Intermediate Similarity 0.7237 NPC428
Intermediate Similarity 0.7237 NPC476571
Intermediate Similarity 0.7237 NPC246587
Intermediate Similarity 0.7237 NPC147390
Intermediate Similarity 0.7237 NPC24233
Intermediate Similarity 0.7236 NPC107522
Intermediate Similarity 0.7236 NPC313650
Intermediate Similarity 0.7234 NPC251571
Intermediate Similarity 0.7233 NPC293871
Intermediate Similarity 0.7233 NPC124433
Intermediate Similarity 0.7231 NPC473524
Intermediate Similarity 0.7222 NPC160692
Intermediate Similarity 0.7222 NPC313737
Intermediate Similarity 0.7222 NPC267237
Intermediate Similarity 0.7222 NPC6854
Intermediate Similarity 0.7222 NPC285078
Intermediate Similarity 0.7222 NPC109925
Intermediate Similarity 0.7218 NPC118202
Intermediate Similarity 0.7215 NPC205167
Intermediate Similarity 0.7215 NPC249274
Intermediate Similarity 0.7206 NPC135961
Intermediate Similarity 0.7203 NPC114102
Intermediate Similarity 0.719 NPC103379
Intermediate Similarity 0.719 NPC477565
Intermediate Similarity 0.7185 NPC164386
Intermediate Similarity 0.7183 NPC155838
Intermediate Similarity 0.7174 NPC266045
Intermediate Similarity 0.7174 NPC474862
Intermediate Similarity 0.7172 NPC218530
Intermediate Similarity 0.7165 NPC178902
Intermediate Similarity 0.7164 NPC317254
Intermediate Similarity 0.7161 NPC82285
Intermediate Similarity 0.7161 NPC133011
Intermediate Similarity 0.7154 NPC20142
Intermediate Similarity 0.7154 NPC215351
Intermediate Similarity 0.7153 NPC252817
Intermediate Similarity 0.7152 NPC185838
Intermediate Similarity 0.7143 NPC35627
Intermediate Similarity 0.7143 NPC476573
Intermediate Similarity 0.7143 NPC81247
Intermediate Similarity 0.7143 NPC476742
Intermediate Similarity 0.7143 NPC29601
Intermediate Similarity 0.7133 NPC35961
Intermediate Similarity 0.7133 NPC52029
Intermediate Similarity 0.7133 NPC195749
Intermediate Similarity 0.7132 NPC63126
Intermediate Similarity 0.7132 NPC231705
Intermediate Similarity 0.7124 NPC471032
Intermediate Similarity 0.7124 NPC470935

Drug Structure

External Identifiers

TTD   DNC000819; DCL000055; DAP000080
DrugBank   DB01064
ChEMBL   CHEMBL434
IUPHAR/BPS   536
PharmaGKB   PA450121
KEGG Drug  
PubChem CID   3779
ChEBI   64317
CAS Number  7683-59-2

Drug Properties

Molecular Weight  211.12
ALogP  -1.7879
MLogP  2.23
XLogP  0.813
HDA  2
HBD  4
Rotatable Bonds  9
TPSA  72.72
RO5 Violation  0