Drug Information

Drug ID:  NPD4604
Drug Name:  Olodaterol Hydrochloride
Molecular Formula:  C21H26N2O5.ClH
Canonical SMILES:  COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=N2)O)O)(C)C.Cl
Standard InCHI:  InChI=1S/C21H26N2O5.ClH/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17;/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26);1H/t18-;/m0./s1
Standard InCHIKey:  KCEHVJZZIGJAAW-FERBBOLQSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD4604

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 0.7796 NPC168153
Intermediate Similarity 0.7688 NPC225381
Intermediate Similarity 0.7574 NPC473422
Intermediate Similarity 0.7473 NPC10730
Intermediate Similarity 0.7473 NPC10875
Intermediate Similarity 0.7426 NPC472330
Intermediate Similarity 0.7426 NPC214368
Intermediate Similarity 0.7426 NPC472329
Intermediate Similarity 0.7423 NPC313886
Intermediate Similarity 0.7403 NPC184161
Intermediate Similarity 0.738 NPC19555
Intermediate Similarity 0.7354 NPC310894
Intermediate Similarity 0.7313 NPC314948
Intermediate Similarity 0.7313 NPC478049
Intermediate Similarity 0.7297 NPC291359
Intermediate Similarity 0.7219 NPC57105
Intermediate Similarity 0.7211 NPC257354
Intermediate Similarity 0.7204 NPC160931
Intermediate Similarity 0.7204 NPC37205
Intermediate Similarity 0.7184 NPC473460
Intermediate Similarity 0.7166 NPC231862
Intermediate Similarity 0.7165 NPC316161
Intermediate Similarity 0.7143 NPC204179
Intermediate Similarity 0.7136 NPC471531
Intermediate Similarity 0.7135 NPC314113
Intermediate Similarity 0.7128 NPC72291
Intermediate Similarity 0.7109 NPC471532
Intermediate Similarity 0.7097 NPC477564
Intermediate Similarity 0.7097 NPC2295
Intermediate Similarity 0.7078 NPC200888
Intermediate Similarity 0.7031 NPC195392
Intermediate Similarity 0.7026 NPC152680
Intermediate Similarity 0.7026 NPC190783
Intermediate Similarity 0.7026 NPC232386
Remote Similarity 0.6995 NPC203168
Remote Similarity 0.6989 NPC76213
Remote Similarity 0.6989 NPC277669
Remote Similarity 0.6984 NPC306366
Remote Similarity 0.6973 NPC60538
Remote Similarity 0.6973 NPC207824
Remote Similarity 0.6957 NPC115144
Remote Similarity 0.6957 NPC277857
Remote Similarity 0.695 NPC262725
Remote Similarity 0.6946 NPC294244
Remote Similarity 0.6935 NPC219383
Remote Similarity 0.6932 NPC97870
Remote Similarity 0.6932 NPC247018
Remote Similarity 0.6932 NPC307123
Remote Similarity 0.6931 NPC474059
Remote Similarity 0.6927 NPC318591
Remote Similarity 0.6927 NPC314861
Remote Similarity 0.6927 NPC231163
Remote Similarity 0.6912 NPC78284
Remote Similarity 0.6902 NPC245974
Remote Similarity 0.6901 NPC219664
Remote Similarity 0.6897 NPC175890
Remote Similarity 0.6897 NPC274661
Remote Similarity 0.6897 NPC48490
Remote Similarity 0.6897 NPC82457
Remote Similarity 0.6897 NPC11296
Remote Similarity 0.6895 NPC79328
Remote Similarity 0.6893 NPC234318
Remote Similarity 0.6892 NPC473185
Remote Similarity 0.6888 NPC475215
Remote Similarity 0.6888 NPC108434
Remote Similarity 0.6878 NPC85381
Remote Similarity 0.6872 NPC473183
Remote Similarity 0.6872 NPC476106
Remote Similarity 0.6872 NPC83198
Remote Similarity 0.6872 NPC204908
Remote Similarity 0.6866 NPC33902
Remote Similarity 0.6866 NPC276674
Remote Similarity 0.6863 NPC41122
Remote Similarity 0.6863 NPC191132
Remote Similarity 0.6863 NPC60295
Remote Similarity 0.6863 NPC475754
Remote Similarity 0.6863 NPC318805
Remote Similarity 0.6856 NPC35627
Remote Similarity 0.6856 NPC476573
Remote Similarity 0.6856 NPC81247
Remote Similarity 0.6854 NPC209769
Remote Similarity 0.6853 NPC477020
Remote Similarity 0.6853 NPC192135
Remote Similarity 0.6853 NPC66341
Remote Similarity 0.6851 NPC189724
Remote Similarity 0.6851 NPC83289
Remote Similarity 0.6851 NPC212850
Remote Similarity 0.6842 NPC29647
Remote Similarity 0.6839 NPC127362
Remote Similarity 0.6839 NPC293871
Remote Similarity 0.6839 NPC124433
Remote Similarity 0.6837 NPC48353
Remote Similarity 0.6835 NPC134702
Remote Similarity 0.6829 NPC476565
Remote Similarity 0.6818 NPC329969
Remote Similarity 0.6818 NPC274002
Remote Similarity 0.6818 NPC126515
Remote Similarity 0.6818 NPC118189
Remote Similarity 0.6818 NPC472331
Remote Similarity 0.6814 NPC473182
Remote Similarity 0.6814 NPC28510
Remote Similarity 0.6812 NPC272706
Remote Similarity 0.6812 NPC472191
Remote Similarity 0.681 NPC66815
Remote Similarity 0.6806 NPC162530
Remote Similarity 0.6806 NPC469592
Remote Similarity 0.6806 NPC471080
Remote Similarity 0.6804 NPC108826
Remote Similarity 0.6804 NPC209377
Remote Similarity 0.6804 NPC473179
Remote Similarity 0.68 NPC474507
Remote Similarity 0.6798 NPC477186
Remote Similarity 0.6798 NPC320088
Remote Similarity 0.6798 NPC212237
Remote Similarity 0.6798 NPC217294
Remote Similarity 0.6798 NPC116465
Remote Similarity 0.6796 NPC256124
Remote Similarity 0.6793 NPC247298
Remote Similarity 0.6791 NPC477565
Remote Similarity 0.6791 NPC103379
Remote Similarity 0.6789 NPC184026
Remote Similarity 0.6789 NPC204828
Remote Similarity 0.6789 NPC110416
Remote Similarity 0.6789 NPC172765
Remote Similarity 0.6789 NPC249797
Remote Similarity 0.6789 NPC193949
Remote Similarity 0.6789 NPC70549
Remote Similarity 0.6789 NPC278799
Remote Similarity 0.6789 NPC469817
Remote Similarity 0.6789 NPC127674
Remote Similarity 0.6789 NPC207757
Remote Similarity 0.6789 NPC276588
Remote Similarity 0.6789 NPC295691
Remote Similarity 0.6789 NPC189266
Remote Similarity 0.6789 NPC39701
Remote Similarity 0.6789 NPC54379
Remote Similarity 0.6789 NPC5238
Remote Similarity 0.6789 NPC2413
Remote Similarity 0.6786 NPC73280
Remote Similarity 0.6786 NPC476997
Remote Similarity 0.6784 NPC473184
Remote Similarity 0.678 NPC259350
Remote Similarity 0.678 NPC223236
Remote Similarity 0.6776 NPC168250
Remote Similarity 0.6776 NPC471561
Remote Similarity 0.6776 NPC477160
Remote Similarity 0.6774 NPC476151
Remote Similarity 0.6771 NPC92191
Remote Similarity 0.6771 NPC329837
Remote Similarity 0.6771 NPC59028
Remote Similarity 0.6769 NPC223077
Remote Similarity 0.6769 NPC193853
Remote Similarity 0.6769 NPC56887
Remote Similarity 0.6763 NPC162653
Remote Similarity 0.6759 NPC127996
Remote Similarity 0.6758 NPC469594
Remote Similarity 0.6758 NPC173080
Remote Similarity 0.6756 NPC476998
Remote Similarity 0.6756 NPC476996
Remote Similarity 0.6751 NPC477562
Remote Similarity 0.6751 NPC26240
Remote Similarity 0.6751 NPC69712
Remote Similarity 0.6749 NPC219170
Remote Similarity 0.6749 NPC180253
Remote Similarity 0.6748 NPC117717
Remote Similarity 0.6745 NPC470930
Remote Similarity 0.6742 NPC76478
Remote Similarity 0.6741 NPC13249
Remote Similarity 0.6739 NPC41501
Remote Similarity 0.6738 NPC147390
Remote Similarity 0.6738 NPC471032
Remote Similarity 0.6738 NPC428
Remote Similarity 0.6738 NPC470935
Remote Similarity 0.6738 NPC476571
Remote Similarity 0.6738 NPC246587
Remote Similarity 0.6738 NPC135538
Remote Similarity 0.6738 NPC24233
Remote Similarity 0.6737 NPC112766
Remote Similarity 0.6733 NPC28425
Remote Similarity 0.673 NPC311357
Remote Similarity 0.673 NPC475085
Remote Similarity 0.673 NPC291535
Remote Similarity 0.673 NPC475112
Remote Similarity 0.6728 NPC114468
Remote Similarity 0.6728 NPC217903
Remote Similarity 0.6728 NPC30749
Remote Similarity 0.6726 NPC475253
Remote Similarity 0.6721 NPC204546
Remote Similarity 0.6719 NPC235628
Remote Similarity 0.6718 NPC4138
Remote Similarity 0.6718 NPC121275
Remote Similarity 0.6718 NPC284183
Remote Similarity 0.6717 NPC231371
Remote Similarity 0.6716 NPC215747
Remote Similarity 0.6716 NPC99179
Remote Similarity 0.6716 NPC22928
Remote Similarity 0.6716 NPC192939
Remote Similarity 0.6716 NPC311936
Remote Similarity 0.6711 NPC476994
Remote Similarity 0.6711 NPC252251

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  386.18
ALogP  -0.9538
MLogP  3
XLogP  2.381
HDA  4
HBD  4
Rotatable Bonds  13
TPSA  103.54
RO5 Violation  0