Drug Information

Drug ID:  NPD6687
Drug Name:  Pinaverium Bromide
Molecular Formula:  C26H41BrNO4.BrH
Canonical SMILES:  COc1cc(C[N+]2(CCOCCC3CCC4CC3C4(C)C)CCOCC2)c(cc1OC)Br.[Br-]
Standard InCHI:  InChI=1S/C26H41BrNO4.BrH/c1-26(2)21-6-5-19(22(26)16-21)7-11-31-12-8-28(9-13-32-14-10-28)18-20-15-24(29-3)25(30-4)17-23(20)27;/h15,17,19,21-22H,5-14,16,18H2,1-4H3;1H/q+1;/p-1
Standard InCHIKey:  IKGXLCMLVINENI-UHFFFAOYSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD6687

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 0.7875 NPC188163
Intermediate Similarity 0.7875 NPC474915
Intermediate Similarity 0.7875 NPC213206
Intermediate Similarity 0.7875 NPC328750
Intermediate Similarity 0.7812 NPC314682
Intermediate Similarity 0.7806 NPC160193
Intermediate Similarity 0.7778 NPC136860
Intermediate Similarity 0.7778 NPC476567
Intermediate Similarity 0.7778 NPC128019
Intermediate Similarity 0.7651 NPC7467
Intermediate Similarity 0.759 NPC210437
Intermediate Similarity 0.759 NPC51957
Intermediate Similarity 0.759 NPC476144
Intermediate Similarity 0.759 NPC106295
Intermediate Similarity 0.759 NPC16107
Intermediate Similarity 0.7576 NPC130926
Intermediate Similarity 0.7576 NPC185838
Intermediate Similarity 0.7564 NPC172403
Intermediate Similarity 0.7545 NPC147390
Intermediate Similarity 0.7545 NPC24233
Intermediate Similarity 0.7545 NPC476571
Intermediate Similarity 0.7545 NPC246587
Intermediate Similarity 0.7545 NPC475959
Intermediate Similarity 0.7545 NPC135538
Intermediate Similarity 0.7545 NPC428
Intermediate Similarity 0.7545 NPC130941
Intermediate Similarity 0.7529 NPC233650
Intermediate Similarity 0.7516 NPC42793
Intermediate Similarity 0.7516 NPC167944
Intermediate Similarity 0.7516 NPC231884
Intermediate Similarity 0.7515 NPC81733
Intermediate Similarity 0.7515 NPC326316
Intermediate Similarity 0.75 NPC92541
Intermediate Similarity 0.75 NPC219162
Intermediate Similarity 0.7486 NPC134858
Intermediate Similarity 0.7485 NPC191376
Intermediate Similarity 0.7485 NPC476151
Intermediate Similarity 0.7485 NPC187022
Intermediate Similarity 0.7485 NPC179825
Intermediate Similarity 0.7485 NPC321505
Intermediate Similarity 0.7485 NPC99659
Intermediate Similarity 0.7485 NPC325871
Intermediate Similarity 0.7485 NPC80129
Intermediate Similarity 0.7472 NPC476331
Intermediate Similarity 0.7457 NPC477080
Intermediate Similarity 0.7456 NPC192768
Intermediate Similarity 0.7456 NPC151895
Intermediate Similarity 0.7456 NPC88249
Intermediate Similarity 0.7456 NPC220858
Intermediate Similarity 0.7456 NPC97221
Intermediate Similarity 0.7442 NPC25084
Intermediate Similarity 0.7442 NPC247639
Intermediate Similarity 0.7438 NPC160692
Intermediate Similarity 0.7412 NPC476568
Intermediate Similarity 0.7407 NPC301050
Intermediate Similarity 0.7407 NPC7018
Intermediate Similarity 0.7407 NPC131204
Intermediate Similarity 0.7401 NPC210140
Intermediate Similarity 0.7401 NPC150879
Intermediate Similarity 0.7399 NPC476572
Intermediate Similarity 0.7396 NPC103379
Intermediate Similarity 0.7396 NPC477565
Intermediate Similarity 0.7384 NPC78733
Intermediate Similarity 0.7381 NPC144863
Intermediate Similarity 0.7381 NPC253883
Intermediate Similarity 0.7381 NPC90844
Intermediate Similarity 0.7381 NPC95075
Intermediate Similarity 0.7368 NPC233029
Intermediate Similarity 0.7368 NPC210148
Intermediate Similarity 0.7365 NPC110337
Intermediate Similarity 0.7362 NPC253429
Intermediate Similarity 0.7356 NPC59028
Intermediate Similarity 0.7356 NPC92191
Intermediate Similarity 0.7356 NPC216816
Intermediate Similarity 0.7353 NPC274026
Intermediate Similarity 0.7341 NPC180756
Intermediate Similarity 0.7341 NPC146288
Intermediate Similarity 0.7341 NPC147091
Intermediate Similarity 0.7341 NPC323443
Intermediate Similarity 0.7314 NPC205167
Intermediate Similarity 0.731 NPC8337
Intermediate Similarity 0.731 NPC476579
Intermediate Similarity 0.731 NPC85747
Intermediate Similarity 0.7294 NPC207824
Intermediate Similarity 0.7294 NPC60538
Intermediate Similarity 0.7288 NPC247972
Intermediate Similarity 0.7288 NPC169743
Intermediate Similarity 0.7283 NPC278799
Intermediate Similarity 0.7283 NPC244112
Intermediate Similarity 0.7283 NPC54379
Intermediate Similarity 0.7283 NPC216459
Intermediate Similarity 0.7283 NPC207757
Intermediate Similarity 0.7283 NPC41178
Intermediate Similarity 0.7283 NPC469817
Intermediate Similarity 0.7283 NPC189266
Intermediate Similarity 0.7283 NPC276588
Intermediate Similarity 0.7283 NPC184026
Intermediate Similarity 0.7283 NPC2413
Intermediate Similarity 0.7283 NPC5238
Intermediate Similarity 0.7283 NPC110416
Intermediate Similarity 0.7283 NPC138487
Intermediate Similarity 0.7283 NPC193949
Intermediate Similarity 0.7283 NPC204828
Intermediate Similarity 0.7283 NPC172765
Intermediate Similarity 0.7283 NPC127674
Intermediate Similarity 0.7283 NPC39701
Intermediate Similarity 0.7283 NPC249797
Intermediate Similarity 0.7283 NPC295691
Intermediate Similarity 0.7273 NPC60186
Intermediate Similarity 0.7268 NPC220961
Intermediate Similarity 0.7267 NPC82285
Intermediate Similarity 0.7267 NPC148898
Intermediate Similarity 0.7267 NPC133011
Intermediate Similarity 0.7263 NPC158148
Intermediate Similarity 0.7263 NPC82533
Intermediate Similarity 0.7263 NPC290759
Intermediate Similarity 0.7263 NPC266176
Intermediate Similarity 0.7257 NPC118804
Intermediate Similarity 0.7241 NPC170503
Intermediate Similarity 0.7241 NPC186063
Intermediate Similarity 0.7241 NPC126519
Intermediate Similarity 0.7241 NPC203784
Intermediate Similarity 0.7239 NPC11147
Intermediate Similarity 0.7232 NPC475393
Intermediate Similarity 0.7232 NPC324144
Intermediate Similarity 0.7229 NPC323204
Intermediate Similarity 0.7216 NPC166014
Intermediate Similarity 0.7216 NPC306902
Intermediate Similarity 0.7216 NPC249274
Intermediate Similarity 0.7216 NPC266753
Intermediate Similarity 0.7216 NPC160298
Intermediate Similarity 0.7216 NPC477559
Intermediate Similarity 0.7216 NPC27410
Intermediate Similarity 0.7216 NPC475780
Intermediate Similarity 0.7216 NPC232924
Intermediate Similarity 0.7213 NPC21885
Intermediate Similarity 0.7209 NPC277669
Intermediate Similarity 0.7209 NPC76213
Intermediate Similarity 0.7207 NPC57812
Intermediate Similarity 0.7207 NPC474324
Intermediate Similarity 0.72 NPC129603
Intermediate Similarity 0.7195 NPC470249
Intermediate Similarity 0.7191 NPC196447
Intermediate Similarity 0.7191 NPC13504
Intermediate Similarity 0.7191 NPC306843
Intermediate Similarity 0.7191 NPC302527
Intermediate Similarity 0.7191 NPC78222
Intermediate Similarity 0.7191 NPC253043
Intermediate Similarity 0.7191 NPC212794
Intermediate Similarity 0.7191 NPC477563
Intermediate Similarity 0.7191 NPC136508
Intermediate Similarity 0.7191 NPC4138
Intermediate Similarity 0.7191 NPC167546
Intermediate Similarity 0.7191 NPC16805
Intermediate Similarity 0.7191 NPC96603
Intermediate Similarity 0.7191 NPC121275
Intermediate Similarity 0.7191 NPC284183
Intermediate Similarity 0.7184 NPC93593
Intermediate Similarity 0.7182 NPC477640
Intermediate Similarity 0.7182 NPC225597
Intermediate Similarity 0.7182 NPC470739
Intermediate Similarity 0.7182 NPC65403
Intermediate Similarity 0.7168 NPC476580
Intermediate Similarity 0.7168 NPC470924
Intermediate Similarity 0.7168 NPC26601
Intermediate Similarity 0.7167 NPC58766
Intermediate Similarity 0.7167 NPC475686
Intermediate Similarity 0.7167 NPC475845
Intermediate Similarity 0.7159 NPC111485
Intermediate Similarity 0.7158 NPC474470
Intermediate Similarity 0.7151 NPC42549
Intermediate Similarity 0.7151 NPC24264
Intermediate Similarity 0.7151 NPC268503
Intermediate Similarity 0.7151 NPC476432
Intermediate Similarity 0.7151 NPC240841
Intermediate Similarity 0.7151 NPC250846
Intermediate Similarity 0.7151 NPC317272
Intermediate Similarity 0.7151 NPC256012
Intermediate Similarity 0.7143 NPC234392
Intermediate Similarity 0.7143 NPC31311
Intermediate Similarity 0.7127 NPC474475
Intermediate Similarity 0.7127 NPC474708
Intermediate Similarity 0.7126 NPC477564
Intermediate Similarity 0.7126 NPC2295
Intermediate Similarity 0.7126 NPC470925
Intermediate Similarity 0.7119 NPC215829
Intermediate Similarity 0.7119 NPC97072
Intermediate Similarity 0.7117 NPC325568
Intermediate Similarity 0.7111 NPC247389
Intermediate Similarity 0.7111 NPC117188
Intermediate Similarity 0.7111 NPC145832
Intermediate Similarity 0.7111 NPC306555
Intermediate Similarity 0.7111 NPC205421
Intermediate Similarity 0.7111 NPC474931
Intermediate Similarity 0.7111 NPC81218
Intermediate Similarity 0.7111 NPC210918
Intermediate Similarity 0.7111 NPC158376
Intermediate Similarity 0.7111 NPC12053
Intermediate Similarity 0.7108 NPC470250
Intermediate Similarity 0.7102 NPC65490

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  510.22
ALogP  -0.3208
MLogP  3.66
XLogP  5.549
HDA  2
HBD  0
Rotatable Bonds  15
TPSA  36.92
RO5 Violation  1