Drug Information

Drug ID:  NPD1361
Drug Name:  lintopride
Molecular Formula:  C14H19ClN4O2
Canonical SMILES:  CCN1CCN=C1CN=C(c1cc(Cl)c(cc1OC)N)O
Standard InCHI:  InChI=1S/C14H19ClN4O2/c1-3-19-5-4-17-13(19)8-18-14(20)9-6-10(15)11(16)7-12(9)21-2/h6-7H,3-5,8,16H2,1-2H3,(H,18,20)
Standard InCHIKey:  MJCKISCWHDATBN-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1361

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
Remote Similarity 0.6927 NPC219383
Remote Similarity 0.6735 NPC232872
Remote Similarity 0.6702 NPC208280
Remote Similarity 0.655 NPC28510
Remote Similarity 0.6387 NPC238430
Remote Similarity 0.6384 NPC166667
Remote Similarity 0.6373 NPC310894
Remote Similarity 0.6359 NPC168153
Remote Similarity 0.6256 NPC174629
Remote Similarity 0.6236 NPC237227
Remote Similarity 0.6232 NPC70956
Remote Similarity 0.6232 NPC243834
Remote Similarity 0.6219 NPC474498
Remote Similarity 0.6207 NPC295287
Remote Similarity 0.62 NPC272375
Remote Similarity 0.6195 NPC204970
Remote Similarity 0.6173 NPC225381
Remote Similarity 0.6162 NPC9475
Remote Similarity 0.6146 NPC72291
Remote Similarity 0.6134 NPC19555
Remote Similarity 0.6122 NPC85482
Remote Similarity 0.6116 NPC166655
Remote Similarity 0.6098 NPC226914
Remote Similarity 0.608 NPC471321
Remote Similarity 0.608 NPC226662
Remote Similarity 0.608 NPC471306
Remote Similarity 0.6073 NPC469428
Remote Similarity 0.6068 NPC475411
Remote Similarity 0.6062 NPC187145
Remote Similarity 0.6056 NPC473460
Remote Similarity 0.6053 NPC300114
Remote Similarity 0.6042 NPC291359
Remote Similarity 0.6034 NPC184437
Remote Similarity 0.6032 NPC13397
Remote Similarity 0.6032 NPC184161
Remote Similarity 0.6028 NPC473422
Remote Similarity 0.6027 NPC469592
Remote Similarity 0.6027 NPC471080
Remote Similarity 0.6023 NPC53596
Remote Similarity 0.6023 NPC17388
Remote Similarity 0.6023 NPC289330
Remote Similarity 0.6023 NPC471308
Remote Similarity 0.6023 NPC160120
Remote Similarity 0.6021 NPC315257
Remote Similarity 0.6021 NPC10730
Remote Similarity 0.6021 NPC10875
Remote Similarity 0.602 NPC265383
Remote Similarity 0.6019 NPC475910
Remote Similarity 0.601 NPC62069
Remote Similarity 0.601 NPC235628
Remote Similarity 0.601 NPC84478
Remote Similarity 0.6009 NPC274268
Remote Similarity 0.6009 NPC475085
Remote Similarity 0.6009 NPC475112
Remote Similarity 0.6009 NPC291535
Remote Similarity 0.6 NPC283152
Remote Similarity 0.6 NPC9336
Remote Similarity 0.6 NPC471132
Remote Similarity 0.5991 NPC177056
Remote Similarity 0.5991 NPC121772
Remote Similarity 0.599 NPC260118
Remote Similarity 0.599 NPC477888
Remote Similarity 0.599 NPC28368
Remote Similarity 0.5988 NPC264782
Remote Similarity 0.5979 NPC177404
Remote Similarity 0.5972 NPC193777
Remote Similarity 0.597 NPC316161
Remote Similarity 0.5965 NPC43275
Remote Similarity 0.5961 NPC192939
Remote Similarity 0.5961 NPC311936
Remote Similarity 0.5961 NPC215747
Remote Similarity 0.5955 NPC478074
Remote Similarity 0.5952 NPC13880
Remote Similarity 0.595 NPC473432
Remote Similarity 0.5943 NPC18487
Remote Similarity 0.5942 NPC474059
Remote Similarity 0.5942 NPC51047
Remote Similarity 0.5941 NPC70092
Remote Similarity 0.5941 NPC39822
Remote Similarity 0.5931 NPC119579
Remote Similarity 0.5928 NPC306366
Remote Similarity 0.5926 NPC476106
Remote Similarity 0.5922 NPC180253
Remote Similarity 0.5922 NPC469830
Remote Similarity 0.5922 NPC313466
Remote Similarity 0.5922 NPC219170
Remote Similarity 0.592 NPC228040
Remote Similarity 0.592 NPC471314
Remote Similarity 0.592 NPC471315
Remote Similarity 0.5919 NPC469594
Remote Similarity 0.5918 NPC204179
Remote Similarity 0.5918 NPC70172
Remote Similarity 0.5917 NPC168250
Remote Similarity 0.5917 NPC469589
Remote Similarity 0.5915 NPC329747
Remote Similarity 0.5906 NPC5932
Remote Similarity 0.5905 NPC131017
Remote Similarity 0.5902 NPC276060
Remote Similarity 0.5902 NPC28425
Remote Similarity 0.5899 NPC219350
Remote Similarity 0.5899 NPC194699
Remote Similarity 0.5897 NPC315498
Remote Similarity 0.5897 NPC230942
Remote Similarity 0.5897 NPC289776
Remote Similarity 0.5897 NPC133470
Remote Similarity 0.5897 NPC191863
Remote Similarity 0.5896 NPC72211
Remote Similarity 0.5894 NPC217294
Remote Similarity 0.5882 NPC471785
Remote Similarity 0.5872 NPC49583
Remote Similarity 0.5871 NPC288943
Remote Similarity 0.5864 NPC242923
Remote Similarity 0.5862 NPC283999
Remote Similarity 0.5857 NPC203972
Remote Similarity 0.5852 NPC325013
Remote Similarity 0.5852 NPC473185
Remote Similarity 0.5848 NPC303658
Remote Similarity 0.5841 NPC315957
Remote Similarity 0.5841 NPC310118
Remote Similarity 0.5841 NPC25897
Remote Similarity 0.5838 NPC247251
Remote Similarity 0.5838 NPC314113
Remote Similarity 0.5838 NPC189724
Remote Similarity 0.5838 NPC212850
Remote Similarity 0.5838 NPC83289
Remote Similarity 0.5837 NPC470728
Remote Similarity 0.5837 NPC316981
Remote Similarity 0.5833 NPC476689
Remote Similarity 0.5833 NPC26872
Remote Similarity 0.5833 NPC476687
Remote Similarity 0.5833 NPC476685
Remote Similarity 0.583 NPC148183
Remote Similarity 0.583 NPC152768
Remote Similarity 0.5829 NPC257354
Remote Similarity 0.5829 NPC29472
Remote Similarity 0.5829 NPC151030
Remote Similarity 0.5829 NPC269383
Remote Similarity 0.5825 NPC42591
Remote Similarity 0.5824 NPC222982
Remote Similarity 0.5817 NPC224293
Remote Similarity 0.5817 NPC22928
Remote Similarity 0.5814 NPC232727
Remote Similarity 0.5814 NPC232600
Remote Similarity 0.5806 NPC301702
Remote Similarity 0.5805 NPC98197
Remote Similarity 0.5802 NPC194967
Remote Similarity 0.5802 NPC70259
Remote Similarity 0.5802 NPC242209
Remote Similarity 0.5801 NPC130595
Remote Similarity 0.5801 NPC274732
Remote Similarity 0.5801 NPC93882
Remote Similarity 0.5798 NPC473874
Remote Similarity 0.5796 NPC128115
Remote Similarity 0.5792 NPC469442
Remote Similarity 0.5792 NPC277306
Remote Similarity 0.5789 NPC296742
Remote Similarity 0.5787 NPC311357
Remote Similarity 0.5785 NPC56271
Remote Similarity 0.5782 NPC307963
Remote Similarity 0.578 NPC472111
Remote Similarity 0.5775 NPC224928
Remote Similarity 0.5769 NPC6854
Remote Similarity 0.5769 NPC66083
Remote Similarity 0.5769 NPC69213
Remote Similarity 0.5769 NPC313737
Remote Similarity 0.5769 NPC285078
Remote Similarity 0.5766 NPC48353
Remote Similarity 0.5764 NPC127082
Remote Similarity 0.576 NPC162484
Remote Similarity 0.5758 NPC254700
Remote Similarity 0.5758 NPC471762
Remote Similarity 0.5755 NPC322424
Remote Similarity 0.5755 NPC205934
Remote Similarity 0.5755 NPC43787
Remote Similarity 0.5755 NPC198401
Remote Similarity 0.5753 NPC477838
Remote Similarity 0.5753 NPC16249
Remote Similarity 0.5753 NPC477837
Remote Similarity 0.5752 NPC193267
Remote Similarity 0.5752 NPC473179
Remote Similarity 0.5752 NPC213530
Remote Similarity 0.5751 NPC123011
Remote Similarity 0.5751 NPC256689
Remote Similarity 0.5749 NPC473007
Remote Similarity 0.5749 NPC94943
Remote Similarity 0.5747 NPC41801
Remote Similarity 0.5747 NPC11464
Remote Similarity 0.5747 NPC476651
Remote Similarity 0.5746 NPC308885
Remote Similarity 0.5746 NPC255550
Remote Similarity 0.574 NPC25539
Remote Similarity 0.5738 NPC218530
Remote Similarity 0.5737 NPC245974
Remote Similarity 0.5736 NPC22014
Remote Similarity 0.5735 NPC114335
Remote Similarity 0.5735 NPC294244
Remote Similarity 0.5735 NPC79213
Remote Similarity 0.5735 NPC141915
Remote Similarity 0.5735 NPC72980
Remote Similarity 0.5735 NPC280964

Drug Structure

External Identifiers

TTD   DIB013200
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  310.12
ALogP  -0.6657
MLogP  2.23
XLogP  1.055
HDA  5
HBD  2
Rotatable Bonds  10
TPSA  83.44
RO5 Violation  0