Drug Information

Drug ID:  NPD1411
Drug Name:  Bromopride
Molecular Formula:  C14H22BrN3O2
Canonical SMILES:  CCN(CCN=C(c1cc(Br)c(cc1OC)N)O)CC
Standard InCHI:  InChI=1S/C14H22BrN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
Standard InCHIKey:  GIYAQDDTCWHPPL-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; DrugBank

  Structural Similarity Between NPASS Natural Products and NPD1411

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 0.7076 NPC219383
Remote Similarity 0.694 NPC94174
Remote Similarity 0.6923 NPC225857
Remote Similarity 0.6782 NPC47672
Remote Similarity 0.6758 NPC310894
Remote Similarity 0.6747 NPC470471
Remote Similarity 0.6667 NPC78530
Remote Similarity 0.6667 NPC233926
Remote Similarity 0.6667 NPC470470
Remote Similarity 0.6649 NPC168153
Remote Similarity 0.6647 NPC474128
Remote Similarity 0.658 NPC28510
Remote Similarity 0.6573 NPC156311
Remote Similarity 0.6571 NPC76412
Remote Similarity 0.6541 NPC225381
Remote Similarity 0.6536 NPC226914
Remote Similarity 0.6534 NPC258222
Remote Similarity 0.6524 NPC9475
Remote Similarity 0.6519 NPC72291
Remote Similarity 0.6488 NPC303993
Remote Similarity 0.6474 NPC470472
Remote Similarity 0.6474 NPC135349
Remote Similarity 0.645 NPC235633
Remote Similarity 0.6414 NPC70956
Remote Similarity 0.6414 NPC243834
Remote Similarity 0.6412 NPC470249
Remote Similarity 0.6412 NPC166667
Remote Similarity 0.6375 NPC43275
Remote Similarity 0.6374 NPC213471
Remote Similarity 0.6374 NPC474673
Remote Similarity 0.6359 NPC174629
Remote Similarity 0.6348 NPC109968
Remote Similarity 0.6335 NPC160120
Remote Similarity 0.6335 NPC471308
Remote Similarity 0.6335 NPC17388
Remote Similarity 0.6335 NPC53596
Remote Similarity 0.6335 NPC289330
Remote Similarity 0.6324 NPC19555
Remote Similarity 0.6323 NPC9336
Remote Similarity 0.6319 NPC291359
Remote Similarity 0.6316 NPC470248
Remote Similarity 0.6313 NPC184161
Remote Similarity 0.6311 NPC80596
Remote Similarity 0.6306 NPC264782
Remote Similarity 0.6303 NPC110131
Remote Similarity 0.6298 NPC10875
Remote Similarity 0.6298 NPC10730
Remote Similarity 0.6296 NPC473432
Remote Similarity 0.6294 NPC204970
Remote Similarity 0.6284 NPC306366
Remote Similarity 0.627 NPC204179
Remote Similarity 0.6269 NPC62069
Remote Similarity 0.6264 NPC469428
Remote Similarity 0.6263 NPC283152
Remote Similarity 0.625 NPC135173
Remote Similarity 0.625 NPC177404
Remote Similarity 0.6242 NPC272463
Remote Similarity 0.6242 NPC325013
Remote Similarity 0.6229 NPC308571
Remote Similarity 0.6226 NPC222982
Remote Similarity 0.6225 NPC473460
Remote Similarity 0.622 NPC471314
Remote Similarity 0.622 NPC471315
Remote Similarity 0.6213 NPC313466
Remote Similarity 0.6198 NPC70092
Remote Similarity 0.6195 NPC473422
Remote Similarity 0.6193 NPC474059
Remote Similarity 0.619 NPC247980
Remote Similarity 0.619 NPC471080
Remote Similarity 0.619 NPC469592
Remote Similarity 0.6186 NPC84478
Remote Similarity 0.6184 NPC475910
Remote Similarity 0.6183 NPC70172
Remote Similarity 0.6176 NPC475085
Remote Similarity 0.6176 NPC291535
Remote Similarity 0.6176 NPC158078
Remote Similarity 0.6176 NPC475112
Remote Similarity 0.6173 NPC469830
Remote Similarity 0.6171 NPC301702
Remote Similarity 0.6162 NPC248822
Remote Similarity 0.6158 NPC121772
Remote Similarity 0.6136 NPC470247
Remote Similarity 0.6135 NPC41801
Remote Similarity 0.6135 NPC193777
Remote Similarity 0.6133 NPC469711
Remote Similarity 0.6132 NPC67658
Remote Similarity 0.6129 NPC37584
Remote Similarity 0.6126 NPC288943
Remote Similarity 0.6119 NPC13880
Remote Similarity 0.6118 NPC476689
Remote Similarity 0.6118 NPC476685
Remote Similarity 0.6118 NPC476687
Remote Similarity 0.6114 NPC477837
Remote Similarity 0.6114 NPC477838
Remote Similarity 0.6114 NPC314113
Remote Similarity 0.6114 NPC265383
Remote Similarity 0.6114 NPC283999
Remote Similarity 0.6108 NPC29477
Remote Similarity 0.6108 NPC235628
Remote Similarity 0.6099 NPC26872
Remote Similarity 0.6094 NPC127082
Remote Similarity 0.6087 NPC258992
Remote Similarity 0.6087 NPC476106
Remote Similarity 0.6085 NPC257354
Remote Similarity 0.6082 NPC93882
Remote Similarity 0.6082 NPC260118
Remote Similarity 0.6082 NPC130595
Remote Similarity 0.6078 NPC315957
Remote Similarity 0.6078 NPC329747
Remote Similarity 0.6077 NPC469589
Remote Similarity 0.6075 NPC191863
Remote Similarity 0.6075 NPC315498
Remote Similarity 0.6075 NPC469594
Remote Similarity 0.6075 NPC289776
Remote Similarity 0.6075 NPC133470
Remote Similarity 0.6075 NPC230942
Remote Similarity 0.6071 NPC42591
Remote Similarity 0.607 NPC131017
Remote Similarity 0.6059 NPC72211
Remote Similarity 0.6059 NPC474091
Remote Similarity 0.6059 NPC474087
Remote Similarity 0.6057 NPC470250
Remote Similarity 0.6057 NPC128877
Remote Similarity 0.6054 NPC29647
Remote Similarity 0.6051 NPC192939
Remote Similarity 0.6051 NPC215747
Remote Similarity 0.6051 NPC311936
Remote Similarity 0.6049 NPC323948
Remote Similarity 0.6049 NPC232600
Remote Similarity 0.6047 NPC285078
Remote Similarity 0.6047 NPC313737
Remote Similarity 0.6047 NPC184437
Remote Similarity 0.6047 NPC6854
Remote Similarity 0.6039 NPC256838
Remote Similarity 0.6034 NPC9373
Remote Similarity 0.6033 NPC315257
Remote Similarity 0.6026 NPC186469
Remote Similarity 0.6025 NPC303370
Remote Similarity 0.6023 NPC83289
Remote Similarity 0.6023 NPC212850
Remote Similarity 0.6023 NPC255550
Remote Similarity 0.6023 NPC308885
Remote Similarity 0.6023 NPC189724
Remote Similarity 0.6022 NPC79328
Remote Similarity 0.602 NPC119579
Remote Similarity 0.6012 NPC5932
Remote Similarity 0.6012 NPC218530
Remote Similarity 0.601 NPC228040
Remote Similarity 0.601 NPC232872
Remote Similarity 0.601 NPC224928
Remote Similarity 0.601 NPC66083
Remote Similarity 0.601 NPC219170
Remote Similarity 0.601 NPC180253
Remote Similarity 0.6009 NPC50562
Remote Similarity 0.6 NPC473185
Remote Similarity 0.6 NPC296085
Remote Similarity 0.6 NPC28368
Remote Similarity 0.6 NPC471321
Remote Similarity 0.6 NPC475411
Remote Similarity 0.6 NPC59387
Remote Similarity 0.6 NPC197045
Remote Similarity 0.6 NPC303658
Remote Similarity 0.6 NPC168250
Remote Similarity 0.6 NPC477888
Remote Similarity 0.6 NPC471306
Remote Similarity 0.5991 NPC316981
Remote Similarity 0.5991 NPC310118
Remote Similarity 0.599 NPC28425
Remote Similarity 0.599 NPC473007
Remote Similarity 0.599 NPC276060
Remote Similarity 0.5988 NPC307123
Remote Similarity 0.5988 NPC97870
Remote Similarity 0.5988 NPC247018
Remote Similarity 0.5988 NPC471953
Remote Similarity 0.5988 NPC274732
Remote Similarity 0.5988 NPC474753
Remote Similarity 0.5981 NPC148183
Remote Similarity 0.5981 NPC152768
Remote Similarity 0.598 NPC217294
Remote Similarity 0.5977 NPC237227
Remote Similarity 0.5975 NPC166837
Remote Similarity 0.5975 NPC21890
Remote Similarity 0.5972 NPC11464
Remote Similarity 0.5972 NPC292958
Remote Similarity 0.5971 NPC232727
Remote Similarity 0.5971 NPC98685
Remote Similarity 0.597 NPC141915
Remote Similarity 0.597 NPC206109
Remote Similarity 0.597 NPC114335
Remote Similarity 0.597 NPC280964
Remote Similarity 0.597 NPC102245
Remote Similarity 0.597 NPC114039
Remote Similarity 0.5966 NPC40321
Remote Similarity 0.5965 NPC99280
Remote Similarity 0.5964 NPC211992
Remote Similarity 0.5963 NPC175150
Remote Similarity 0.5963 NPC243633
Remote Similarity 0.5962 NPC478074
Remote Similarity 0.5961 NPC70259
Remote Similarity 0.5961 NPC303214

Drug Structure

External Identifiers

TTD   DIB014284
DrugBank   DB09018
ChEMBL   CHEMBL399510
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D07101
PubChem CID  
ChEBI   95304
CAS Number  4093-35-0

Drug Properties

Molecular Weight  343.09
ALogP  0.5231
MLogP  2.34
XLogP  1.9
HDA  4
HBD  2
Rotatable Bonds  13
TPSA  71.08
RO5 Violation  0