Drug Information

Drug ID:  NPD1716
Drug Name:  Renzapride
Molecular Formula:  C15H20ClN3O2
Canonical SMILES:  COc1cc(N)c(cc1C(=NC1CCN2CC1CC2)O)Cl
Standard InCHI:  InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-3-5-19-4-2-9(13)8-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)
Standard InCHIKey:  DTTGUKXBOVDIES-UHFFFAOYSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1716

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 NPC232872
Remote Similarity 0.6907 NPC28510
Remote Similarity 0.6854 NPC219383
Remote Similarity 0.6732 NPC475910
Remote Similarity 0.672 NPC208280
Remote Similarity 0.6634 NPC329747
Remote Similarity 0.6615 NPC70092
Remote Similarity 0.6599 NPC174629
Remote Similarity 0.6578 NPC238430
Remote Similarity 0.6567 NPC243834
Remote Similarity 0.6567 NPC70956
Remote Similarity 0.6561 NPC310894
Remote Similarity 0.6533 NPC204970
Remote Similarity 0.6515 NPC474059
Remote Similarity 0.6493 NPC478074
Remote Similarity 0.648 NPC473007
Remote Similarity 0.6465 NPC217294
Remote Similarity 0.6459 NPC168250
Remote Similarity 0.6458 NPC168153
Remote Similarity 0.6443 NPC283999
Remote Similarity 0.6415 NPC471080
Remote Similarity 0.6415 NPC469592
Remote Similarity 0.6385 NPC189661
Remote Similarity 0.6382 NPC295287
Remote Similarity 0.6378 NPC98197
Remote Similarity 0.6373 NPC473432
Remote Similarity 0.6359 NPC232600
Remote Similarity 0.6355 NPC194967
Remote Similarity 0.6354 NPC225381
Remote Similarity 0.635 NPC473008
Remote Similarity 0.6345 NPC62069
Remote Similarity 0.6345 NPC84478
Remote Similarity 0.6344 NPC469428
Remote Similarity 0.634 NPC283152
Remote Similarity 0.634 NPC9475
Remote Similarity 0.633 NPC177404
Remote Similarity 0.633 NPC72291
Remote Similarity 0.6329 NPC475112
Remote Similarity 0.6329 NPC291535
Remote Similarity 0.6329 NPC475085
Remote Similarity 0.6316 NPC19555
Remote Similarity 0.6313 NPC274268
Remote Similarity 0.6313 NPC474498
Remote Similarity 0.6311 NPC329793
Remote Similarity 0.6307 NPC166667
Remote Similarity 0.6303 NPC469589
Remote Similarity 0.63 NPC477186
Remote Similarity 0.6296 NPC469594
Remote Similarity 0.6294 NPC272375
Remote Similarity 0.629 NPC315257
Remote Similarity 0.6286 NPC193777
Remote Similarity 0.6279 NPC148183
Remote Similarity 0.6279 NPC152768
Remote Similarity 0.6275 NPC303214
Remote Similarity 0.6273 NPC166655
Remote Similarity 0.6263 NPC70172
Remote Similarity 0.6256 NPC470931
Remote Similarity 0.6256 NPC203972
Remote Similarity 0.6244 NPC472191
Remote Similarity 0.6244 NPC272706
Remote Similarity 0.6238 NPC476106
Remote Similarity 0.6238 NPC472111
Remote Similarity 0.6238 NPC22476
Remote Similarity 0.6225 NPC131017
Remote Similarity 0.6223 NPC29647
Remote Similarity 0.6221 NPC473041
Remote Similarity 0.6214 NPC72211
Remote Similarity 0.6214 NPC100863
Remote Similarity 0.6211 NPC226914
Remote Similarity 0.621 NPC310118
Remote Similarity 0.6205 NPC288943
Remote Similarity 0.6197 NPC11464
Remote Similarity 0.6197 NPC269449
Remote Similarity 0.6195 NPC13880
Remote Similarity 0.6193 NPC108826
Remote Similarity 0.619 NPC79328
Remote Similarity 0.6183 NPC26872
Remote Similarity 0.6173 NPC127082
Remote Similarity 0.6172 NPC52801
Remote Similarity 0.6168 NPC43275
Remote Similarity 0.6165 NPC161804
Remote Similarity 0.6164 NPC128115
Remote Similarity 0.6158 NPC230942
Remote Similarity 0.6158 NPC315498
Remote Similarity 0.6158 NPC203628
Remote Similarity 0.6157 NPC49583
Remote Similarity 0.6154 NPC121772
Remote Similarity 0.6154 NPC127178
Remote Similarity 0.615 NPC42591
Remote Similarity 0.6146 NPC230313
Remote Similarity 0.6143 NPC473185
Remote Similarity 0.6138 NPC291359
Remote Similarity 0.6133 NPC300114
Remote Similarity 0.6129 NPC184161
Remote Similarity 0.6124 NPC232727
Remote Similarity 0.6121 NPC471304
Remote Similarity 0.6117 NPC10875
Remote Similarity 0.6117 NPC10730
Remote Similarity 0.6117 NPC70259
Remote Similarity 0.6114 NPC476685
Remote Similarity 0.6114 NPC285558
Remote Similarity 0.6114 NPC476689
Remote Similarity 0.6114 NPC87714
Remote Similarity 0.6114 NPC476687
Remote Similarity 0.6111 NPC212850
Remote Similarity 0.6111 NPC189724
Remote Similarity 0.6111 NPC83289
Remote Similarity 0.6105 NPC306366
Remote Similarity 0.6103 NPC329329
Remote Similarity 0.6103 NPC317709
Remote Similarity 0.6099 NPC472103
Remote Similarity 0.6094 NPC204179
Remote Similarity 0.6091 NPC228040
Remote Similarity 0.6089 NPC66083
Remote Similarity 0.6089 NPC469830
Remote Similarity 0.6087 NPC224928
Remote Similarity 0.6082 NPC269383
Remote Similarity 0.6082 NPC151030
Remote Similarity 0.6082 NPC477888
Remote Similarity 0.6079 NPC473105
Remote Similarity 0.6077 NPC315957
Remote Similarity 0.6073 NPC303658
Remote Similarity 0.6071 NPC110151
Remote Similarity 0.607 NPC94943
Remote Similarity 0.607 NPC177056
Remote Similarity 0.6068 NPC243626
Remote Similarity 0.6068 NPC205934
Remote Similarity 0.6068 NPC43787
Remote Similarity 0.6066 NPC162484
Remote Similarity 0.6066 NPC294249
Remote Similarity 0.6066 NPC473460
Remote Similarity 0.6065 NPC316981
Remote Similarity 0.6065 NPC48353
Remote Similarity 0.6061 NPC72980
Remote Similarity 0.6055 NPC330009
Remote Similarity 0.6054 NPC476151
Remote Similarity 0.605 NPC212535
Remote Similarity 0.605 NPC176127
Remote Similarity 0.6049 NPC114039
Remote Similarity 0.6049 NPC473004
Remote Similarity 0.6049 NPC206109
Remote Similarity 0.6049 NPC141915
Remote Similarity 0.6049 NPC114335
Remote Similarity 0.6049 NPC280964
Remote Similarity 0.6048 NPC476044
Remote Similarity 0.6048 NPC267423
Remote Similarity 0.6047 NPC476651
Remote Similarity 0.6047 NPC325013
Remote Similarity 0.6045 NPC213530
Remote Similarity 0.6045 NPC193267
Remote Similarity 0.6045 NPC473179
Remote Similarity 0.604 NPC276674
Remote Similarity 0.604 NPC61350
Remote Similarity 0.604 NPC33902
Remote Similarity 0.6039 NPC472193
Remote Similarity 0.6038 NPC14339
Remote Similarity 0.6038 NPC470484
Remote Similarity 0.6038 NPC473422
Remote Similarity 0.6036 NPC289330
Remote Similarity 0.6036 NPC471308
Remote Similarity 0.6036 NPC17388
Remote Similarity 0.6036 NPC160120
Remote Similarity 0.6036 NPC53596
Remote Similarity 0.6032 NPC2295
Remote Similarity 0.6032 NPC477564
Remote Similarity 0.6031 NPC209377
Remote Similarity 0.603 NPC39822
Remote Similarity 0.603 NPC265383
Remote Similarity 0.6029 NPC471593
Remote Similarity 0.6029 NPC473569
Remote Similarity 0.6027 NPC305984
Remote Similarity 0.6023 NPC471314
Remote Similarity 0.6023 NPC471315
Remote Similarity 0.6022 NPC477837
Remote Similarity 0.6022 NPC477838
Remote Similarity 0.6021 NPC235628
Remote Similarity 0.602 NPC474409
Remote Similarity 0.602 NPC190007
Remote Similarity 0.602 NPC471294
Remote Similarity 0.602 NPC66573
Remote Similarity 0.6019 NPC279401
Remote Similarity 0.6019 NPC135887
Remote Similarity 0.6019 NPC79293
Remote Similarity 0.6019 NPC307963
Remote Similarity 0.6019 NPC474077
Remote Similarity 0.6019 NPC289786
Remote Similarity 0.6019 NPC199277
Remote Similarity 0.6018 NPC174760
Remote Similarity 0.6012 NPC9336
Remote Similarity 0.601 NPC471178
Remote Similarity 0.601 NPC254700
Remote Similarity 0.6 NPC257354
Remote Similarity 0.6 NPC469390
Remote Similarity 0.6 NPC260118
Remote Similarity 0.6 NPC264782
Remote Similarity 0.6 NPC96321
Remote Similarity 0.6 NPC174672
Remote Similarity 0.6 NPC195392
Remote Similarity 0.6 NPC193853
Remote Similarity 0.6 NPC223077

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  309.12
ALogP  -1.1356
MLogP  2.45
XLogP  1.347
HDA  4
HBD  2
Rotatable Bonds  7
TPSA  71.08
RO5 Violation  0