Drug Information

Drug ID:  NPD4699
Drug Name:  picumeterol
Molecular Formula:  C21H29Cl2N3O2
Canonical SMILES:  O[C@H](c1cc(Cl)c(c(c1)Cl)N)CNCCCCCCOCCc1ccccn1
Standard InCHI:  InChI=1S/C21H29Cl2N3O2/c22-18-13-16(14-19(23)21(18)24)20(27)15-25-9-4-1-2-6-11-28-12-8-17-7-3-5-10-26-17/h3,5,7,10,13-14,20,25,27H,1-2,4,6,8-9,11-12,15,24H2/t20-/m0/s1
Standard InCHIKey:  NUBLQEKABJXICM-FQEVSTJZSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD4699

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 0.7527 NPC203754
Intermediate Similarity 0.7527 NPC150048
Intermediate Similarity 0.7473 NPC102423
Intermediate Similarity 0.7421 NPC48938
Intermediate Similarity 0.7377 NPC311276
Intermediate Similarity 0.7363 NPC131718
Intermediate Similarity 0.7326 NPC471312
Intermediate Similarity 0.7326 NPC313791
Intermediate Similarity 0.7292 NPC207851
Intermediate Similarity 0.7282 NPC95783
Intermediate Similarity 0.7277 NPC192270
Intermediate Similarity 0.7253 NPC469762
Intermediate Similarity 0.7235 NPC256893
Intermediate Similarity 0.7213 NPC230869
Intermediate Similarity 0.7198 NPC469785
Intermediate Similarity 0.7189 NPC476446
Intermediate Similarity 0.7189 NPC78375
Intermediate Similarity 0.7189 NPC469813
Intermediate Similarity 0.7181 NPC158129
Intermediate Similarity 0.7165 NPC62510
Intermediate Similarity 0.7158 NPC138018
Intermediate Similarity 0.7151 NPC471178
Intermediate Similarity 0.715 NPC5145
Intermediate Similarity 0.7143 NPC477110
Intermediate Similarity 0.7112 NPC54988
Intermediate Similarity 0.7104 NPC476464
Intermediate Similarity 0.7097 NPC40779
Intermediate Similarity 0.7081 NPC63338
Intermediate Similarity 0.7081 NPC322976
Intermediate Similarity 0.7081 NPC324203
Intermediate Similarity 0.7079 NPC471323
Intermediate Similarity 0.7073 NPC470500
Intermediate Similarity 0.7053 NPC34508
Intermediate Similarity 0.7045 NPC32002
Intermediate Similarity 0.7045 NPC315348
Intermediate Similarity 0.7043 NPC471177
Intermediate Similarity 0.7043 NPC124542
Intermediate Similarity 0.7043 NPC59779
Intermediate Similarity 0.7037 NPC116961
Intermediate Similarity 0.7031 NPC211997
Intermediate Similarity 0.7031 NPC293472
Intermediate Similarity 0.7026 NPC284678
Intermediate Similarity 0.7021 NPC474561
Intermediate Similarity 0.7021 NPC49954
Intermediate Similarity 0.7011 NPC141353
Intermediate Similarity 0.701 NPC71037
Intermediate Similarity 0.701 NPC314394
Intermediate Similarity 0.7005 NPC46580
Intermediate Similarity 0.7 NPC470498
Intermediate Similarity 0.7 NPC165370
Intermediate Similarity 0.7 NPC474177
Intermediate Similarity 0.7 NPC306397
Remote Similarity 0.6995 NPC469760
Remote Similarity 0.6995 NPC469763
Remote Similarity 0.6995 NPC73952
Remote Similarity 0.6995 NPC469786
Remote Similarity 0.6995 NPC469765
Remote Similarity 0.6995 NPC25008
Remote Similarity 0.6995 NPC259644
Remote Similarity 0.699 NPC470505
Remote Similarity 0.6989 NPC279918
Remote Similarity 0.6984 NPC63751
Remote Similarity 0.6979 NPC134586
Remote Similarity 0.6974 NPC472109
Remote Similarity 0.6974 NPC472110
Remote Similarity 0.6974 NPC469358
Remote Similarity 0.6965 NPC133366
Remote Similarity 0.6957 NPC211572
Remote Similarity 0.6957 NPC70922
Remote Similarity 0.6957 NPC80597
Remote Similarity 0.6957 NPC212376
Remote Similarity 0.6957 NPC75540
Remote Similarity 0.6952 NPC71079
Remote Similarity 0.6952 NPC282231
Remote Similarity 0.695 NPC99666
Remote Similarity 0.6947 NPC473764
Remote Similarity 0.6947 NPC314940
Remote Similarity 0.6943 NPC96890
Remote Similarity 0.6943 NPC151939
Remote Similarity 0.694 NPC153769
Remote Similarity 0.6931 NPC160105
Remote Similarity 0.6923 NPC233936
Remote Similarity 0.6919 NPC317030
Remote Similarity 0.6915 NPC474217
Remote Similarity 0.6907 NPC141377
Remote Similarity 0.6907 NPC270009
Remote Similarity 0.6906 NPC161292
Remote Similarity 0.6904 NPC163421
Remote Similarity 0.6904 NPC314002
Remote Similarity 0.6904 NPC188387
Remote Similarity 0.6901 NPC212125
Remote Similarity 0.6895 NPC319456
Remote Similarity 0.6895 NPC201700
Remote Similarity 0.6893 NPC328318
Remote Similarity 0.6893 NPC328596
Remote Similarity 0.6891 NPC288785
Remote Similarity 0.689 NPC477111
Remote Similarity 0.6888 NPC163055
Remote Similarity 0.6888 NPC220765
Remote Similarity 0.6885 NPC24678
Remote Similarity 0.6885 NPC105818
Remote Similarity 0.6882 NPC212742
Remote Similarity 0.6882 NPC129721
Remote Similarity 0.6878 NPC85918
Remote Similarity 0.6875 NPC477113
Remote Similarity 0.6875 NPC314603
Remote Similarity 0.6875 NPC328029
Remote Similarity 0.6875 NPC29702
Remote Similarity 0.6869 NPC474707
Remote Similarity 0.6869 NPC171171
Remote Similarity 0.6866 NPC324149
Remote Similarity 0.6865 NPC63562
Remote Similarity 0.6856 NPC184964
Remote Similarity 0.6856 NPC68354
Remote Similarity 0.6853 NPC204717
Remote Similarity 0.6851 NPC159856
Remote Similarity 0.6847 NPC251090
Remote Similarity 0.6842 NPC278366
Remote Similarity 0.6842 NPC127730
Remote Similarity 0.6839 NPC189812
Remote Similarity 0.6839 NPC329688
Remote Similarity 0.6834 NPC204565
Remote Similarity 0.6827 NPC264166
Remote Similarity 0.6827 NPC274291
Remote Similarity 0.6827 NPC329708
Remote Similarity 0.6827 NPC165349
Remote Similarity 0.6827 NPC47059
Remote Similarity 0.6827 NPC118832
Remote Similarity 0.6825 NPC194640
Remote Similarity 0.6825 NPC473057
Remote Similarity 0.6821 NPC42979
Remote Similarity 0.6821 NPC176199
Remote Similarity 0.6821 NPC215795
Remote Similarity 0.6818 NPC15102
Remote Similarity 0.6812 NPC193761
Remote Similarity 0.681 NPC314957
Remote Similarity 0.6806 NPC317430
Remote Similarity 0.6804 NPC224764
Remote Similarity 0.6802 NPC472108
Remote Similarity 0.6802 NPC471311
Remote Similarity 0.6802 NPC139291
Remote Similarity 0.6802 NPC19679
Remote Similarity 0.6802 NPC471313
Remote Similarity 0.68 NPC65215
Remote Similarity 0.68 NPC173028
Remote Similarity 0.6796 NPC470497
Remote Similarity 0.6794 NPC317373
Remote Similarity 0.6791 NPC472285
Remote Similarity 0.6791 NPC132680
Remote Similarity 0.6791 NPC269919
Remote Similarity 0.6788 NPC259545
Remote Similarity 0.6786 NPC300688
Remote Similarity 0.6784 NPC315555
Remote Similarity 0.678 NPC470499
Remote Similarity 0.678 NPC192315
Remote Similarity 0.6771 NPC256828
Remote Similarity 0.6771 NPC244897
Remote Similarity 0.6771 NPC126481
Remote Similarity 0.6769 NPC59269
Remote Similarity 0.6769 NPC326575
Remote Similarity 0.6769 NPC248454
Remote Similarity 0.6768 NPC284559
Remote Similarity 0.6766 NPC83111
Remote Similarity 0.6765 NPC242209
Remote Similarity 0.6758 NPC314372
Remote Similarity 0.6755 NPC92796
Remote Similarity 0.6755 NPC135141
Remote Similarity 0.6755 NPC84508
Remote Similarity 0.6754 NPC98187
Remote Similarity 0.6754 NPC41717
Remote Similarity 0.6753 NPC37423
Remote Similarity 0.6753 NPC275305
Remote Similarity 0.6751 NPC161887
Remote Similarity 0.6751 NPC219963
Remote Similarity 0.6749 NPC307963
Remote Similarity 0.6748 NPC476167
Remote Similarity 0.6746 NPC327592
Remote Similarity 0.6744 NPC288349
Remote Similarity 0.6742 NPC192712
Remote Similarity 0.6737 NPC162268
Remote Similarity 0.6737 NPC97367
Remote Similarity 0.6737 NPC263439
Remote Similarity 0.6737 NPC476118
Remote Similarity 0.6736 NPC252590
Remote Similarity 0.6735 NPC232340
Remote Similarity 0.6735 NPC472443
Remote Similarity 0.6732 NPC77555
Remote Similarity 0.6731 NPC476874
Remote Similarity 0.673 NPC18348
Remote Similarity 0.6726 NPC267853
Remote Similarity 0.6726 NPC315062
Remote Similarity 0.672 NPC25899
Remote Similarity 0.6718 NPC472122
Remote Similarity 0.6718 NPC24594
Remote Similarity 0.6717 NPC472444
Remote Similarity 0.6716 NPC46413
Remote Similarity 0.6715 NPC315957
Remote Similarity 0.6711 NPC316411
Remote Similarity 0.6699 NPC265576
Remote Similarity 0.6699 NPC212213

Drug Structure

External Identifiers

TTD   DIB013911
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  425.16
ALogP  -1.7401
MLogP  3
XLogP  3.453
HDA  5
HBD  3
Rotatable Bonds  17
TPSA  80.4
RO5 Violation  1