Drug Information

Drug ID:  NPD1710
Drug Name:  Pronetalol
Molecular Formula:  C15H19NO
Canonical SMILES:  CC(NCC(c1ccc2c(c1)cccc2)O)C
Standard InCHI:  InChI=1S/C15H19NO/c1-11(2)16-10-15(17)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,15-17H,10H2,1-2H3
Standard InCHIKey:  HRSANNODOVBCST-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1710

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 0.8649 NPC226778
High Similarity 0.8649 NPC304761
High Similarity 0.8649 NPC147000
High Similarity 0.8649 NPC150254
Intermediate Similarity 0.8468 NPC327226
Intermediate Similarity 0.8214 NPC214200
Intermediate Similarity 0.8214 NPC228400
Intermediate Similarity 0.8198 NPC303611
Intermediate Similarity 0.8198 NPC290515
Intermediate Similarity 0.8198 NPC164514
Intermediate Similarity 0.8198 NPC108606
Intermediate Similarity 0.8198 NPC226096
Intermediate Similarity 0.8047 NPC40488
Intermediate Similarity 0.7966 NPC65855
Intermediate Similarity 0.7966 NPC292758
Intermediate Similarity 0.7928 NPC20142
Intermediate Similarity 0.7928 NPC215351
Intermediate Similarity 0.7815 NPC24777
Intermediate Similarity 0.7748 NPC128645
Intermediate Similarity 0.763 NPC478140
Intermediate Similarity 0.76 NPC137096
Intermediate Similarity 0.7581 NPC213
Intermediate Similarity 0.7581 NPC10286
Intermediate Similarity 0.7479 NPC211551
Intermediate Similarity 0.7477 NPC199567
Intermediate Similarity 0.7462 NPC307020
Intermediate Similarity 0.7422 NPC326232
Intermediate Similarity 0.7407 NPC149379
Intermediate Similarity 0.7333 NPC243601
Intermediate Similarity 0.7311 NPC19856
Intermediate Similarity 0.7302 NPC101139
Intermediate Similarity 0.7293 NPC322366
Intermediate Similarity 0.7266 NPC318591
Intermediate Similarity 0.7266 NPC231163
Intermediate Similarity 0.7213 NPC472980
Intermediate Similarity 0.7213 NPC27252
Intermediate Similarity 0.7213 NPC472979
Intermediate Similarity 0.7174 NPC293377
Intermediate Similarity 0.7174 NPC79465
Intermediate Similarity 0.7174 NPC260045
Intermediate Similarity 0.7174 NPC476102
Intermediate Similarity 0.7174 NPC76785
Intermediate Similarity 0.7174 NPC9687
Intermediate Similarity 0.7174 NPC118099
Intermediate Similarity 0.7174 NPC475318
Intermediate Similarity 0.7174 NPC151706
Intermediate Similarity 0.7174 NPC273907
Intermediate Similarity 0.7174 NPC474811
Intermediate Similarity 0.7174 NPC475598
Intermediate Similarity 0.7174 NPC474855
Intermediate Similarity 0.7174 NPC474787
Intermediate Similarity 0.7174 NPC90194
Intermediate Similarity 0.7174 NPC49577
Intermediate Similarity 0.7168 NPC1793
Intermediate Similarity 0.7154 NPC472982
Intermediate Similarity 0.7154 NPC149455
Intermediate Similarity 0.7154 NPC64642
Intermediate Similarity 0.7143 NPC316797
Intermediate Similarity 0.7143 NPC469481
Intermediate Similarity 0.7132 NPC89769
Intermediate Similarity 0.7132 NPC126859
Intermediate Similarity 0.7132 NPC259665
Intermediate Similarity 0.7111 NPC268763
Intermediate Similarity 0.7111 NPC66177
Intermediate Similarity 0.7111 NPC8305
Intermediate Similarity 0.7101 NPC132847
Intermediate Similarity 0.7099 NPC273830
Intermediate Similarity 0.7099 NPC316896
Intermediate Similarity 0.7097 NPC290566
Intermediate Similarity 0.7097 NPC145638
Intermediate Similarity 0.7094 NPC21959
Intermediate Similarity 0.7068 NPC285394
Intermediate Similarity 0.7054 NPC93843
Intermediate Similarity 0.7049 NPC471133
Intermediate Similarity 0.7037 NPC323775
Intermediate Similarity 0.7037 NPC236347
Intermediate Similarity 0.7029 NPC208757
Intermediate Similarity 0.7027 NPC304538
Intermediate Similarity 0.702 NPC29647
Intermediate Similarity 0.7015 NPC474479
Intermediate Similarity 0.7 NPC289117
Remote Similarity 0.6984 NPC471188
Remote Similarity 0.6984 NPC111108
Remote Similarity 0.6983 NPC314690
Remote Similarity 0.6974 NPC79328
Remote Similarity 0.6972 NPC170170
Remote Similarity 0.6972 NPC211468
Remote Similarity 0.6972 NPC219233
Remote Similarity 0.6967 NPC238696
Remote Similarity 0.6967 NPC315794
Remote Similarity 0.6964 NPC474354
Remote Similarity 0.6937 NPC172984
Remote Similarity 0.6934 NPC124802
Remote Similarity 0.6923 NPC168861
Remote Similarity 0.6923 NPC195392
Remote Similarity 0.6923 NPC323123
Remote Similarity 0.6906 NPC313663
Remote Similarity 0.6905 NPC133308
Remote Similarity 0.6903 NPC474211
Remote Similarity 0.6897 NPC79917
Remote Similarity 0.6885 NPC68055
Remote Similarity 0.6875 NPC168855
Remote Similarity 0.6875 NPC204546
Remote Similarity 0.6861 NPC469666
Remote Similarity 0.6847 NPC99394
Remote Similarity 0.6847 NPC103326
Remote Similarity 0.6847 NPC329319
Remote Similarity 0.6847 NPC87299
Remote Similarity 0.6838 NPC136112
Remote Similarity 0.6838 NPC320242
Remote Similarity 0.6838 NPC141739
Remote Similarity 0.6825 NPC58865
Remote Similarity 0.6795 NPC233650
Remote Similarity 0.6791 NPC109151
Remote Similarity 0.6786 NPC300020
Remote Similarity 0.6786 NPC33338
Remote Similarity 0.6786 NPC302171
Remote Similarity 0.6783 NPC214988
Remote Similarity 0.6777 NPC125732
Remote Similarity 0.6774 NPC67043
Remote Similarity 0.6772 NPC132720
Remote Similarity 0.6757 NPC117180
Remote Similarity 0.6752 NPC134858
Remote Similarity 0.6752 NPC209377
Remote Similarity 0.6752 NPC220596
Remote Similarity 0.6752 NPC169743
Remote Similarity 0.675 NPC324602
Remote Similarity 0.6746 NPC262365
Remote Similarity 0.6744 NPC1986
Remote Similarity 0.6744 NPC474544
Remote Similarity 0.6742 NPC85276
Remote Similarity 0.6736 NPC150712
Remote Similarity 0.6733 NPC60538
Remote Similarity 0.6733 NPC207824
Remote Similarity 0.6723 NPC329430
Remote Similarity 0.6721 NPC289381
Remote Similarity 0.6721 NPC155847
Remote Similarity 0.6719 NPC269340
Remote Similarity 0.6718 NPC92
Remote Similarity 0.6718 NPC469663
Remote Similarity 0.6718 NPC472862
Remote Similarity 0.6715 NPC318965
Remote Similarity 0.6715 NPC278097
Remote Similarity 0.6709 NPC223077
Remote Similarity 0.6709 NPC56887
Remote Similarity 0.6709 NPC193853
Remote Similarity 0.6696 NPC475199
Remote Similarity 0.6696 NPC283012
Remote Similarity 0.6696 NPC211237
Remote Similarity 0.6695 NPC265521
Remote Similarity 0.6694 NPC56168
Remote Similarity 0.6692 NPC283760
Remote Similarity 0.6667 NPC247018
Remote Similarity 0.6667 NPC99482
Remote Similarity 0.6667 NPC307123
Remote Similarity 0.6667 NPC210140
Remote Similarity 0.6667 NPC97870
Remote Similarity 0.6667 NPC46940
Remote Similarity 0.6667 NPC477136
Remote Similarity 0.6667 NPC150879
Remote Similarity 0.6645 NPC76213
Remote Similarity 0.6645 NPC277669
Remote Similarity 0.6642 NPC321133
Remote Similarity 0.6642 NPC115627
Remote Similarity 0.6642 NPC169207
Remote Similarity 0.6642 NPC472414
Remote Similarity 0.6642 NPC118522
Remote Similarity 0.6641 NPC44732
Remote Similarity 0.664 NPC117115
Remote Similarity 0.662 NPC267237
Remote Similarity 0.662 NPC474473
Remote Similarity 0.6619 NPC295478
Remote Similarity 0.6618 NPC35996
Remote Similarity 0.6618 NPC472415
Remote Similarity 0.6615 NPC196673
Remote Similarity 0.6615 NPC169616
Remote Similarity 0.6615 NPC715
Remote Similarity 0.6612 NPC33168
Remote Similarity 0.6607 NPC133050
Remote Similarity 0.6604 NPC35627
Remote Similarity 0.6604 NPC476573
Remote Similarity 0.6604 NPC81247
Remote Similarity 0.6601 NPC26601
Remote Similarity 0.6599 NPC473922
Remote Similarity 0.6596 NPC42423
Remote Similarity 0.6594 NPC65310
Remote Similarity 0.6593 NPC71684
Remote Similarity 0.6591 NPC477137
Remote Similarity 0.6591 NPC308311
Remote Similarity 0.6591 NPC212891
Remote Similarity 0.6591 NPC38893
Remote Similarity 0.6591 NPC82963
Remote Similarity 0.6591 NPC2265
Remote Similarity 0.6591 NPC219112
Remote Similarity 0.6589 NPC308689
Remote Similarity 0.6589 NPC95716
Remote Similarity 0.6589 NPC66208
Remote Similarity 0.6589 NPC151537
Remote Similarity 0.6585 NPC294741
Remote Similarity 0.6583 NPC58674

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  229.15
ALogP  -0.8673
MLogP  2.89
XLogP  4.819
HDA  2
HBD  2
Rotatable Bonds  7
TPSA  32.26
RO5 Violation  0