Drug Information

Drug ID:  NPD509
Drug Name:  Sumanirole
Molecular Formula:  C11H13N3O
Canonical SMILES:  CN[C@@H]1Cc2cccc3c2n(C1)c(O)n3
Standard InCHI:  InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1
Standard InCHIKey:  RKZSNTNMEFVBDT-MRVPVSSYSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD509

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 0.8272 NPC300238
Intermediate Similarity 0.8228 NPC114209
Intermediate Similarity 0.8107 NPC317054
Intermediate Similarity 0.8086 NPC476219
Intermediate Similarity 0.8086 NPC476297
Intermediate Similarity 0.7875 NPC204141
Intermediate Similarity 0.7862 NPC42483
Intermediate Similarity 0.7841 NPC476341
Intermediate Similarity 0.7821 NPC216159
Intermediate Similarity 0.7707 NPC325252
Intermediate Similarity 0.7679 NPC470204
Intermediate Similarity 0.7643 NPC198988
Intermediate Similarity 0.7633 NPC470203
Intermediate Similarity 0.7627 NPC471609
Intermediate Similarity 0.7625 NPC115611
Intermediate Similarity 0.7529 NPC225018
Intermediate Similarity 0.7515 NPC321911
Intermediate Similarity 0.7515 NPC282531
Intermediate Similarity 0.7471 NPC122141
Intermediate Similarity 0.7455 NPC179787
Intermediate Similarity 0.7455 NPC201380
Intermediate Similarity 0.7455 NPC469811
Intermediate Similarity 0.7453 NPC88097
Intermediate Similarity 0.7439 NPC470440
Intermediate Similarity 0.7438 NPC125746
Intermediate Similarity 0.7425 NPC469975
Intermediate Similarity 0.7399 NPC49217
Intermediate Similarity 0.7394 NPC63545
Intermediate Similarity 0.7337 NPC120070
Intermediate Similarity 0.7317 NPC190296
Intermediate Similarity 0.7283 NPC247987
Intermediate Similarity 0.7278 NPC325903
Intermediate Similarity 0.7267 NPC218268
Intermediate Similarity 0.7256 NPC63157
Intermediate Similarity 0.7256 NPC473868
Intermediate Similarity 0.7251 NPC236711
Intermediate Similarity 0.7246 NPC470111
Intermediate Similarity 0.7239 NPC104483
Intermediate Similarity 0.7229 NPC314372
Intermediate Similarity 0.7212 NPC20144
Intermediate Similarity 0.7198 NPC108011
Intermediate Similarity 0.7195 NPC2949
Intermediate Similarity 0.7195 NPC284635
Intermediate Similarity 0.7195 NPC59084
Intermediate Similarity 0.7186 NPC143872
Intermediate Similarity 0.717 NPC22079
Intermediate Similarity 0.7167 NPC265710
Intermediate Similarity 0.716 NPC33421
Intermediate Similarity 0.7143 NPC471957
Intermediate Similarity 0.7134 NPC73767
Intermediate Similarity 0.7134 NPC110126
Intermediate Similarity 0.7128 NPC116555
Intermediate Similarity 0.7128 NPC71238
Intermediate Similarity 0.7127 NPC16659
Intermediate Similarity 0.7126 NPC159856
Intermediate Similarity 0.7117 NPC84911
Intermediate Similarity 0.7111 NPC240088
Intermediate Similarity 0.7111 NPC473380
Intermediate Similarity 0.711 NPC56765
Intermediate Similarity 0.7101 NPC288445
Intermediate Similarity 0.7097 NPC41174
Intermediate Similarity 0.7088 NPC307191
Intermediate Similarity 0.7086 NPC478184
Intermediate Similarity 0.7083 NPC478186
Intermediate Similarity 0.7062 NPC278874
Intermediate Similarity 0.7059 NPC24678
Intermediate Similarity 0.7059 NPC105818
Intermediate Similarity 0.7055 NPC261195
Intermediate Similarity 0.7055 NPC96102
Intermediate Similarity 0.7055 NPC29886
Intermediate Similarity 0.7045 NPC195507
Intermediate Similarity 0.7045 NPC2165
Intermediate Similarity 0.7043 NPC472289
Intermediate Similarity 0.7041 NPC21605
Intermediate Similarity 0.7022 NPC194411
Intermediate Similarity 0.7022 NPC164664
Intermediate Similarity 0.702 NPC54981
Intermediate Similarity 0.7019 NPC82295
Intermediate Similarity 0.7012 NPC105127
Intermediate Similarity 0.7011 NPC475990
Intermediate Similarity 0.7011 NPC474880
Intermediate Similarity 0.7011 NPC293487
Intermediate Similarity 0.7011 NPC221786
Intermediate Similarity 0.7 NPC37548
Remote Similarity 0.6995 NPC469308
Remote Similarity 0.6989 NPC271797
Remote Similarity 0.6989 NPC21174
Remote Similarity 0.6989 NPC317105
Remote Similarity 0.6989 NPC478182
Remote Similarity 0.6988 NPC469784
Remote Similarity 0.6988 NPC469780
Remote Similarity 0.6988 NPC469783
Remote Similarity 0.6988 NPC469761
Remote Similarity 0.6988 NPC469768
Remote Similarity 0.6988 NPC469779
Remote Similarity 0.6988 NPC469767
Remote Similarity 0.6983 NPC105758
Remote Similarity 0.6983 NPC476686
Remote Similarity 0.6983 NPC476688
Remote Similarity 0.6977 NPC259644
Remote Similarity 0.6977 NPC469763
Remote Similarity 0.6977 NPC73952
Remote Similarity 0.6977 NPC469765
Remote Similarity 0.6977 NPC25008
Remote Similarity 0.6977 NPC469760
Remote Similarity 0.6977 NPC469786
Remote Similarity 0.6966 NPC317430
Remote Similarity 0.6959 NPC40070
Remote Similarity 0.6957 NPC472110
Remote Similarity 0.6957 NPC472109
Remote Similarity 0.6946 NPC469766
Remote Similarity 0.6946 NPC88121
Remote Similarity 0.6944 NPC472123
Remote Similarity 0.6944 NPC208060
Remote Similarity 0.6944 NPC314557
Remote Similarity 0.6936 NPC80597
Remote Similarity 0.6936 NPC75540
Remote Similarity 0.6936 NPC70922
Remote Similarity 0.6936 NPC212376
Remote Similarity 0.6936 NPC211572
Remote Similarity 0.6932 NPC224632
Remote Similarity 0.6932 NPC282231
Remote Similarity 0.6928 NPC148140
Remote Similarity 0.6919 NPC216713
Remote Similarity 0.6918 NPC250361
Remote Similarity 0.6914 NPC471322
Remote Similarity 0.6914 NPC477591
Remote Similarity 0.6914 NPC318065
Remote Similarity 0.6914 NPC206819
Remote Similarity 0.6906 NPC275305
Remote Similarity 0.6906 NPC37423
Remote Similarity 0.6899 NPC27740
Remote Similarity 0.6894 NPC473587
Remote Similarity 0.6893 NPC90723
Remote Similarity 0.6889 NPC82331
Remote Similarity 0.6886 NPC279081
Remote Similarity 0.6883 NPC81561
Remote Similarity 0.6879 NPC232798
Remote Similarity 0.6879 NPC200214
Remote Similarity 0.6875 NPC279918
Remote Similarity 0.6875 NPC81229
Remote Similarity 0.6875 NPC229173
Remote Similarity 0.6875 NPC255229
Remote Similarity 0.6868 NPC474958
Remote Similarity 0.6868 NPC315715
Remote Similarity 0.6868 NPC280852
Remote Similarity 0.6866 NPC282247
Remote Similarity 0.6864 NPC242556
Remote Similarity 0.6854 NPC274229
Remote Similarity 0.6852 NPC475428
Remote Similarity 0.6839 NPC38736
Remote Similarity 0.6839 NPC470507
Remote Similarity 0.6836 NPC478185
Remote Similarity 0.6835 NPC46358
Remote Similarity 0.6833 NPC91895
Remote Similarity 0.6832 NPC473762
Remote Similarity 0.6831 NPC68354
Remote Similarity 0.6818 NPC92796
Remote Similarity 0.6818 NPC41257
Remote Similarity 0.6818 NPC135141
Remote Similarity 0.6816 NPC474561
Remote Similarity 0.6816 NPC478183
Remote Similarity 0.6816 NPC471603
Remote Similarity 0.6816 NPC56233
Remote Similarity 0.6816 NPC49954
Remote Similarity 0.6811 NPC477891
Remote Similarity 0.681 NPC475450
Remote Similarity 0.681 NPC179365
Remote Similarity 0.6807 NPC150259
Remote Similarity 0.6802 NPC187951
Remote Similarity 0.68 NPC285469
Remote Similarity 0.68 NPC469785
Remote Similarity 0.6793 NPC219336
Remote Similarity 0.6793 NPC176199
Remote Similarity 0.6793 NPC215795
Remote Similarity 0.6793 NPC11126
Remote Similarity 0.6786 NPC238499
Remote Similarity 0.6786 NPC230002
Remote Similarity 0.6784 NPC288838
Remote Similarity 0.678 NPC215584
Remote Similarity 0.678 NPC44773
Remote Similarity 0.6774 NPC48938
Remote Similarity 0.6763 NPC53947
Remote Similarity 0.6761 NPC469762
Remote Similarity 0.6761 NPC286427
Remote Similarity 0.6761 NPC129721
Remote Similarity 0.6758 NPC161861
Remote Similarity 0.6755 NPC135601
Remote Similarity 0.6755 NPC141612
Remote Similarity 0.6755 NPC17273
Remote Similarity 0.6752 NPC215519
Remote Similarity 0.6748 NPC282398
Remote Similarity 0.6742 NPC194881
Remote Similarity 0.674 NPC32534
Remote Similarity 0.674 NPC97343
Remote Similarity 0.6739 NPC217372
Remote Similarity 0.6739 NPC183662
Remote Similarity 0.6739 NPC15573
Remote Similarity 0.6738 NPC21429
Remote Similarity 0.6738 NPC472294

Drug Structure

External Identifiers

TTD   DCL001006
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   9818479
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  203.11
ALogP  -0.7416
MLogP  2.23
XLogP  0.952
HDA  3
HBD  2
Rotatable Bonds  3
TPSA  50.08
RO5 Violation  0