Drug Information

Drug ID:  NPD8053
Drug Name:  Tubocurarine Chloride
Molecular Formula:  C37H40N2O6.ClH
Canonical SMILES:  COc1cc2CCN([C@@H]3c2cc1Oc1cc(ccc1O)C[C@@H]1c2c(CC[N+]1(C)C)cc(c(c2Oc1ccc(C3)cc1)[O-])OC)C.Cl
Standard InCHI:  InChI=1S/C37H40N2O6.ClH/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33;/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41);1H/t28-,29+;/m0./s1
Standard InCHIKey:  MHXYWXHKLBMJKL-QBYKQQEBSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8053

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
High Similarity 1.0 NPC251735
High Similarity 1.0 NPC104196
High Similarity 1.0 NPC229373
High Similarity 1.0 NPC239824
High Similarity 1.0 NPC15414
High Similarity 1.0 NPC223690
High Similarity 1.0 NPC311973
High Similarity 1.0 NPC90998
High Similarity 1.0 NPC271013
High Similarity 1.0 NPC54654
High Similarity 1.0 NPC217748
High Similarity 1.0 NPC181796
High Similarity 1.0 NPC279228
High Similarity 1.0 NPC222661
High Similarity 1.0 NPC258657
High Similarity 1.0 NPC285931
High Similarity 1.0 NPC42663
High Similarity 1.0 NPC49075
High Similarity 1.0 NPC290582
High Similarity 1.0 NPC8836
High Similarity 1.0 NPC290005
High Similarity 1.0 NPC185639
High Similarity 1.0 NPC328155
High Similarity 1.0 NPC7715
High Similarity 1.0 NPC182052
High Similarity 0.9939 NPC167116
High Similarity 0.9939 NPC254441
High Similarity 0.9939 NPC286119
High Similarity 0.9939 NPC274716
High Similarity 0.9879 NPC30779
High Similarity 0.982 NPC212237
High Similarity 0.982 NPC116465
High Similarity 0.9762 NPC275680
High Similarity 0.9762 NPC22115
High Similarity 0.9704 NPC206900
High Similarity 0.9704 NPC175890
High Similarity 0.9704 NPC82457
High Similarity 0.9704 NPC274661
High Similarity 0.9704 NPC11296
High Similarity 0.9704 NPC48490
High Similarity 0.9647 NPC60295
High Similarity 0.9647 NPC191132
High Similarity 0.9643 NPC16357
High Similarity 0.9643 NPC95426
High Similarity 0.9643 NPC302245
High Similarity 0.9591 NPC24260
High Similarity 0.9586 NPC65312
High Similarity 0.9586 NPC139783
High Similarity 0.9573 NPC317145
High Similarity 0.9573 NPC10908
High Similarity 0.9573 NPC63646
High Similarity 0.9573 NPC115284
High Similarity 0.9573 NPC276890
High Similarity 0.9573 NPC227060
High Similarity 0.9573 NPC76682
High Similarity 0.9573 NPC198498
High Similarity 0.9573 NPC317439
High Similarity 0.9515 NPC41376
High Similarity 0.9515 NPC12424
High Similarity 0.9515 NPC251580
High Similarity 0.9515 NPC129518
High Similarity 0.9477 NPC478093
High Similarity 0.9422 NPC478091
High Similarity 0.9422 NPC478092
High Similarity 0.9422 NPC30182
High Similarity 0.9422 NPC473589
High Similarity 0.9401 NPC293093
High Similarity 0.9329 NPC317272
High Similarity 0.9329 NPC240841
High Similarity 0.9329 NPC256012
High Similarity 0.9329 NPC264850
High Similarity 0.9329 NPC268503
High Similarity 0.9329 NPC42549
High Similarity 0.9329 NPC250846
High Similarity 0.9329 NPC13916
High Similarity 0.931 NPC85381
High Similarity 0.931 NPC256124
High Similarity 0.9306 NPC318805
High Similarity 0.9306 NPC41122
High Similarity 0.929 NPC243454
High Similarity 0.929 NPC475479
High Similarity 0.9268 NPC24465
High Similarity 0.9266 NPC475654
High Similarity 0.9235 NPC239584
High Similarity 0.9217 NPC83198
High Similarity 0.9217 NPC204908
High Similarity 0.9205 NPC234318
High Similarity 0.9181 NPC73492
High Similarity 0.9181 NPC299990
High Similarity 0.9053 NPC152680
High Similarity 0.9053 NPC232386
High Similarity 0.9053 NPC190783
High Similarity 0.9017 NPC302275
High Similarity 0.8994 NPC475215
High Similarity 0.8994 NPC108434
High Similarity 0.8966 NPC249996
High Similarity 0.892 NPC281581
High Similarity 0.8902 NPC247639
High Similarity 0.8902 NPC195538
High Similarity 0.8902 NPC25084
High Similarity 0.8901 NPC254581
High Similarity 0.887 NPC475597
High Similarity 0.887 NPC473716
High Similarity 0.8851 NPC476202
High Similarity 0.8841 NPC39701
High Similarity 0.8841 NPC54379
High Similarity 0.8841 NPC127674
High Similarity 0.8841 NPC278799
High Similarity 0.8841 NPC5238
High Similarity 0.8841 NPC184026
High Similarity 0.8841 NPC207757
High Similarity 0.8841 NPC204828
High Similarity 0.8841 NPC469817
High Similarity 0.8841 NPC276588
High Similarity 0.8841 NPC249797
High Similarity 0.8841 NPC172765
High Similarity 0.8841 NPC110416
High Similarity 0.8841 NPC189266
High Similarity 0.8841 NPC193949
High Similarity 0.8841 NPC2413
High Similarity 0.8841 NPC295691
High Similarity 0.8807 NPC47077
High Similarity 0.8807 NPC14507
High Similarity 0.8772 NPC239775
High Similarity 0.8713 NPC118274
High Similarity 0.8713 NPC168753
High Similarity 0.8663 NPC10871
High Similarity 0.8639 NPC475393
High Similarity 0.8598 NPC151895
High Similarity 0.8598 NPC97221
High Similarity 0.8598 NPC88249
High Similarity 0.8598 NPC220858
High Similarity 0.8598 NPC192768
High Similarity 0.858 NPC60186
High Similarity 0.8537 NPC477565
High Similarity 0.8537 NPC103379
High Similarity 0.8523 NPC474507
High Similarity 0.8521 NPC271388
High Similarity 0.8521 NPC235143
High Similarity 0.8521 NPC205255
High Similarity 0.8521 NPC119649
High Similarity 0.8521 NPC230956
Intermediate Similarity 0.8497 NPC82056
Intermediate Similarity 0.8488 NPC12053
Intermediate Similarity 0.8488 NPC81218
Intermediate Similarity 0.8488 NPC205421
Intermediate Similarity 0.8488 NPC117188
Intermediate Similarity 0.8488 NPC145832
Intermediate Similarity 0.8488 NPC474931
Intermediate Similarity 0.8488 NPC306555
Intermediate Similarity 0.8488 NPC158376
Intermediate Similarity 0.848 NPC276944
Intermediate Similarity 0.848 NPC306843
Intermediate Similarity 0.848 NPC232514
Intermediate Similarity 0.848 NPC253043
Intermediate Similarity 0.848 NPC238530
Intermediate Similarity 0.848 NPC78222
Intermediate Similarity 0.848 NPC212794
Intermediate Similarity 0.848 NPC96603
Intermediate Similarity 0.848 NPC196447
Intermediate Similarity 0.848 NPC13504
Intermediate Similarity 0.848 NPC136508
Intermediate Similarity 0.848 NPC477563
Intermediate Similarity 0.8476 NPC428
Intermediate Similarity 0.8476 NPC24233
Intermediate Similarity 0.8476 NPC147390
Intermediate Similarity 0.8476 NPC246587
Intermediate Similarity 0.8476 NPC476571
Intermediate Similarity 0.8476 NPC135538
Intermediate Similarity 0.8475 NPC257269
Intermediate Similarity 0.8475 NPC230276
Intermediate Similarity 0.8471 NPC80759
Intermediate Similarity 0.8471 NPC79402
Intermediate Similarity 0.8462 NPC221864
Intermediate Similarity 0.8421 NPC324144
Intermediate Similarity 0.8418 NPC40496
Intermediate Similarity 0.8418 NPC119068
Intermediate Similarity 0.8418 NPC32154
Intermediate Similarity 0.8415 NPC210437
Intermediate Similarity 0.8415 NPC51957
Intermediate Similarity 0.8415 NPC16107
Intermediate Similarity 0.8415 NPC476151
Intermediate Similarity 0.8415 NPC476144
Intermediate Similarity 0.8415 NPC321505
Intermediate Similarity 0.8415 NPC106295
Intermediate Similarity 0.8415 NPC179825
Intermediate Similarity 0.8415 NPC191376
Intermediate Similarity 0.8409 NPC148709
Intermediate Similarity 0.8409 NPC476577
Intermediate Similarity 0.8409 NPC173416
Intermediate Similarity 0.8394 NPC38964
Intermediate Similarity 0.8391 NPC109925
Intermediate Similarity 0.8372 NPC284183
Intermediate Similarity 0.8372 NPC4138
Intermediate Similarity 0.8372 NPC121275
Intermediate Similarity 0.8364 NPC7467
Intermediate Similarity 0.8314 NPC1229
Intermediate Similarity 0.8305 NPC241704
Intermediate Similarity 0.8304 NPC166014
Intermediate Similarity 0.8304 NPC27410

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  608.29
ALogP  -2.2316
MLogP  4.65
XLogP  4.869
HDA  1
HBD  1
Rotatable Bonds  9
TPSA  83.45
RO5 Violation  0