Drug Information

Drug ID:  NPD7906
Drug Name:  Naloxegol Oxalate
Molecular Formula:  C34H53NO11.C2H2O4
Canonical SMILES:  OC(=O)C(=O)O.COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC=C)ccc1O)O
Standard InCHI:  InChI=1S/C34H53NO11.C2H2O4/c1-3-9-35-10-8-33-30-26-4-5-27(36)31(30)46-32(33)28(6-7-34(33,37)29(35)25-26)45-24-23-44-22-21-43-20-19-42-18-17-41-16-15-40-14-13-39-12-11-38-2;3-1(4)2(5)6/h3-5,28-29,32,36-37H,1,6-25H2,2H3;(H,3,4)(H,5,6)/t28-,29+,32-,33-,34+;/m0./s1
Standard InCHIKey:  MNYIRXLCPODKLG-VUTNLTPYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD7906

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 0.9075 NPC305847
High Similarity 0.9048 NPC124657
High Similarity 0.9023 NPC302449
High Similarity 0.8852 NPC254045
High Similarity 0.8852 NPC201055
High Similarity 0.8852 NPC64576
High Similarity 0.8852 NPC151470
High Similarity 0.8634 NPC66909
High Similarity 0.8631 NPC323443
High Similarity 0.8631 NPC180756
High Similarity 0.8629 NPC329969
High Similarity 0.8555 NPC474931
High Similarity 0.8555 NPC306555
High Similarity 0.8555 NPC81218
High Similarity 0.8555 NPC158376
High Similarity 0.8555 NPC145832
High Similarity 0.8555 NPC117188
High Similarity 0.8555 NPC205421
High Similarity 0.8555 NPC12053
Intermediate Similarity 0.8492 NPC248642
Intermediate Similarity 0.8483 NPC99179
Intermediate Similarity 0.8444 NPC156576
Intermediate Similarity 0.8439 NPC196447
Intermediate Similarity 0.8439 NPC96603
Intermediate Similarity 0.8439 NPC78222
Intermediate Similarity 0.8439 NPC212794
Intermediate Similarity 0.8439 NPC477563
Intermediate Similarity 0.8439 NPC13504
Intermediate Similarity 0.8439 NPC306843
Intermediate Similarity 0.8439 NPC253043
Intermediate Similarity 0.8439 NPC136508
Intermediate Similarity 0.8427 NPC114364
Intermediate Similarity 0.8427 NPC320223
Intermediate Similarity 0.8424 NPC473589
Intermediate Similarity 0.8424 NPC478092
Intermediate Similarity 0.8424 NPC30182
Intermediate Similarity 0.8424 NPC478091
Intermediate Similarity 0.8409 NPC239775
Intermediate Similarity 0.8382 NPC324144
Intermediate Similarity 0.8382 NPC1229
Intermediate Similarity 0.838 NPC126284
Intermediate Similarity 0.837 NPC478093
Intermediate Similarity 0.8352 NPC214116
Intermediate Similarity 0.8352 NPC118274
Intermediate Similarity 0.8352 NPC168753
Intermediate Similarity 0.8315 NPC128560
Intermediate Similarity 0.8315 NPC229166
Intermediate Similarity 0.8315 NPC199465
Intermediate Similarity 0.8287 NPC30779
Intermediate Similarity 0.8266 NPC166014
Intermediate Similarity 0.8266 NPC27410
Intermediate Similarity 0.8258 NPC192135
Intermediate Similarity 0.8258 NPC152680
Intermediate Similarity 0.8258 NPC66341
Intermediate Similarity 0.8258 NPC232386
Intermediate Similarity 0.8258 NPC190783
Intermediate Similarity 0.8258 NPC477020
Intermediate Similarity 0.8251 NPC212237
Intermediate Similarity 0.8251 NPC116465
Intermediate Similarity 0.8232 NPC286119
Intermediate Similarity 0.8207 NPC275680
Intermediate Similarity 0.8207 NPC22115
Intermediate Similarity 0.8192 NPC204908
Intermediate Similarity 0.8192 NPC83198
Intermediate Similarity 0.8187 NPC7715
Intermediate Similarity 0.8187 NPC279228
Intermediate Similarity 0.8187 NPC285931
Intermediate Similarity 0.8187 NPC328155
Intermediate Similarity 0.8187 NPC271013
Intermediate Similarity 0.8187 NPC54654
Intermediate Similarity 0.8187 NPC223690
Intermediate Similarity 0.8187 NPC239824
Intermediate Similarity 0.8187 NPC42663
Intermediate Similarity 0.8187 NPC229373
Intermediate Similarity 0.8187 NPC104196
Intermediate Similarity 0.8187 NPC258657
Intermediate Similarity 0.8187 NPC311973
Intermediate Similarity 0.8187 NPC251735
Intermediate Similarity 0.8187 NPC217748
Intermediate Similarity 0.8187 NPC90998
Intermediate Similarity 0.8187 NPC290005
Intermediate Similarity 0.8187 NPC181796
Intermediate Similarity 0.8187 NPC8836
Intermediate Similarity 0.8187 NPC222661
Intermediate Similarity 0.8187 NPC49075
Intermediate Similarity 0.8187 NPC182052
Intermediate Similarity 0.8187 NPC15414
Intermediate Similarity 0.8187 NPC290582
Intermediate Similarity 0.8187 NPC185639
Intermediate Similarity 0.8177 NPC474507
Intermediate Similarity 0.8162 NPC206900
Intermediate Similarity 0.815 NPC476572
Intermediate Similarity 0.8146 NPC69712
Intermediate Similarity 0.8146 NPC26240
Intermediate Similarity 0.8146 NPC477562
Intermediate Similarity 0.8142 NPC135772
Intermediate Similarity 0.8142 NPC274716
Intermediate Similarity 0.8142 NPC254441
Intermediate Similarity 0.8142 NPC167116
Intermediate Similarity 0.8136 NPC210140
Intermediate Similarity 0.8136 NPC150879
Intermediate Similarity 0.8135 NPC11708
Intermediate Similarity 0.8098 NPC16357
Intermediate Similarity 0.8098 NPC302245
Intermediate Similarity 0.8098 NPC95426
Intermediate Similarity 0.8087 NPC116284
Intermediate Similarity 0.8079 NPC13916
Intermediate Similarity 0.8079 NPC264850
Intermediate Similarity 0.8075 NPC117717
Intermediate Similarity 0.8075 NPC24260
Intermediate Similarity 0.8066 NPC173416
Intermediate Similarity 0.8066 NPC476577
Intermediate Similarity 0.8066 NPC148709
Intermediate Similarity 0.8065 NPC82763
Intermediate Similarity 0.8057 NPC249274
Intermediate Similarity 0.8057 NPC18402
Intermediate Similarity 0.8057 NPC205167
Intermediate Similarity 0.8056 NPC2314
Intermediate Similarity 0.8054 NPC47077
Intermediate Similarity 0.8054 NPC14507
Intermediate Similarity 0.8054 NPC139783
Intermediate Similarity 0.8054 NPC65312
Intermediate Similarity 0.8046 NPC129603
Intermediate Similarity 0.8043 NPC302275
Intermediate Similarity 0.8035 NPC99659
Intermediate Similarity 0.8035 NPC325871
Intermediate Similarity 0.8034 NPC247389
Intermediate Similarity 0.8034 NPC298979
Intermediate Similarity 0.8033 NPC476574
Intermediate Similarity 0.8033 NPC477561
Intermediate Similarity 0.8033 NPC155442
Intermediate Similarity 0.8033 NPC115906
Intermediate Similarity 0.8033 NPC312918
Intermediate Similarity 0.8023 NPC134858
Intermediate Similarity 0.8023 NPC3375
Intermediate Similarity 0.8023 NPC255607
Intermediate Similarity 0.8023 NPC24465
Intermediate Similarity 0.8022 NPC294790
Intermediate Similarity 0.8022 NPC118633
Intermediate Similarity 0.8022 NPC148693
Intermediate Similarity 0.8021 NPC475754
Intermediate Similarity 0.8011 NPC60186
Intermediate Similarity 0.8011 NPC186546
Intermediate Similarity 0.8011 NPC476576
Intermediate Similarity 0.7989 NPC476575
Intermediate Similarity 0.7989 NPC147091
Intermediate Similarity 0.7978 NPC317272
Intermediate Similarity 0.7978 NPC240841
Intermediate Similarity 0.7978 NPC219341
Intermediate Similarity 0.7978 NPC476573
Intermediate Similarity 0.7978 NPC268503
Intermediate Similarity 0.7978 NPC256012
Intermediate Similarity 0.7978 NPC476432
Intermediate Similarity 0.7978 NPC24264
Intermediate Similarity 0.7978 NPC250846
Intermediate Similarity 0.7978 NPC35627
Intermediate Similarity 0.7978 NPC81247
Intermediate Similarity 0.7978 NPC220961
Intermediate Similarity 0.7978 NPC42549
Intermediate Similarity 0.7968 NPC48490
Intermediate Similarity 0.7968 NPC11296
Intermediate Similarity 0.7968 NPC175890
Intermediate Similarity 0.7968 NPC82457
Intermediate Similarity 0.7968 NPC274661
Intermediate Similarity 0.7966 NPC233650
Intermediate Similarity 0.7957 NPC57036
Intermediate Similarity 0.7947 NPC234318
Intermediate Similarity 0.7943 NPC65490
Intermediate Similarity 0.7943 NPC315707
Intermediate Similarity 0.7943 NPC148014
Intermediate Similarity 0.7943 NPC78359
Intermediate Similarity 0.7943 NPC40389
Intermediate Similarity 0.7931 NPC184026
Intermediate Similarity 0.7931 NPC278799
Intermediate Similarity 0.7931 NPC2413
Intermediate Similarity 0.7931 NPC193949
Intermediate Similarity 0.7931 NPC127674
Intermediate Similarity 0.7931 NPC204828
Intermediate Similarity 0.7931 NPC189266
Intermediate Similarity 0.7931 NPC276588
Intermediate Similarity 0.7931 NPC207757
Intermediate Similarity 0.7931 NPC54379
Intermediate Similarity 0.7931 NPC5238
Intermediate Similarity 0.7931 NPC469817
Intermediate Similarity 0.7931 NPC249797
Intermediate Similarity 0.7931 NPC172765
Intermediate Similarity 0.7931 NPC295691
Intermediate Similarity 0.7931 NPC110416
Intermediate Similarity 0.7931 NPC39701
Intermediate Similarity 0.7926 NPC196231
Intermediate Similarity 0.7926 NPC318805
Intermediate Similarity 0.7926 NPC60295
Intermediate Similarity 0.7926 NPC41122
Intermediate Similarity 0.7926 NPC191132
Intermediate Similarity 0.7921 NPC225774
Intermediate Similarity 0.7921 NPC16805
Intermediate Similarity 0.7921 NPC167546
Intermediate Similarity 0.7921 NPC302527
Intermediate Similarity 0.7914 NPC237579
Intermediate Similarity 0.7901 NPC149090

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  651.36
ALogP  -1.8192
MLogP  3.88
XLogP  -0.056
HDA  10
HBD  2
Rotatable Bonds  27
TPSA  126.77
RO5 Violation  1