Drug Information

Drug ID:  NPD3641
Drug Name:  deutetrabenazine
Molecular Formula:  C19H27NO3
Canonical SMILES:  CC(C[C@@H]1CN2CCc3c([C@H]2CC1=O)cc(c(c3)OC([2H])([2H])[2H])OC([2H])([2H])[2H])C
Standard InCHI:  InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3/t14-,16-/m1/s1/i3D3,4D3
Standard InCHIKey:  MKJIEFSOBYUXJB-VFJJUKLQSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD3641

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 0.9028 NPC136860
High Similarity 0.9028 NPC128019
High Similarity 0.9028 NPC476567
High Similarity 0.8951 NPC314682
High Similarity 0.8889 NPC213206
High Similarity 0.8889 NPC474915
High Similarity 0.8889 NPC328750
High Similarity 0.8889 NPC188163
High Similarity 0.8851 NPC7467
High Similarity 0.88 NPC476579
High Similarity 0.8784 NPC476144
High Similarity 0.8784 NPC51957
High Similarity 0.8784 NPC210437
High Similarity 0.8784 NPC106295
High Similarity 0.8784 NPC16107
High Similarity 0.8774 NPC476569
High Similarity 0.8714 NPC160193
High Similarity 0.8649 NPC185838
High Similarity 0.8609 NPC220858
High Similarity 0.8609 NPC151895
High Similarity 0.8609 NPC97221
High Similarity 0.8609 NPC192768
High Similarity 0.8609 NPC88249
High Similarity 0.8552 NPC253429
High Similarity 0.8533 NPC191376
High Similarity 0.8533 NPC321505
High Similarity 0.8533 NPC179825
High Similarity 0.8523 NPC130926
High Similarity 0.8506 NPC187022
High Similarity 0.8506 NPC80129
Intermediate Similarity 0.8497 NPC210148
Intermediate Similarity 0.8497 NPC233029
Intermediate Similarity 0.8477 NPC475959
Intermediate Similarity 0.8477 NPC428
Intermediate Similarity 0.8477 NPC476571
Intermediate Similarity 0.8477 NPC24233
Intermediate Similarity 0.8477 NPC147390
Intermediate Similarity 0.8477 NPC246587
Intermediate Similarity 0.8477 NPC135538
Intermediate Similarity 0.8452 NPC146288
Intermediate Similarity 0.8421 NPC92541
Intermediate Similarity 0.8411 NPC476151
Intermediate Similarity 0.8408 NPC475780
Intermediate Similarity 0.8405 NPC222524
Intermediate Similarity 0.8387 NPC276588
Intermediate Similarity 0.8387 NPC184026
Intermediate Similarity 0.8387 NPC172765
Intermediate Similarity 0.8387 NPC189266
Intermediate Similarity 0.8387 NPC469817
Intermediate Similarity 0.8387 NPC278799
Intermediate Similarity 0.8387 NPC54379
Intermediate Similarity 0.8387 NPC41178
Intermediate Similarity 0.8387 NPC2413
Intermediate Similarity 0.8387 NPC216459
Intermediate Similarity 0.8387 NPC138487
Intermediate Similarity 0.8387 NPC39701
Intermediate Similarity 0.8387 NPC204828
Intermediate Similarity 0.8387 NPC110416
Intermediate Similarity 0.8387 NPC295691
Intermediate Similarity 0.8387 NPC127674
Intermediate Similarity 0.8387 NPC193949
Intermediate Similarity 0.8387 NPC249797
Intermediate Similarity 0.8387 NPC5238
Intermediate Similarity 0.8387 NPC207757
Intermediate Similarity 0.8366 NPC223125
Intermediate Similarity 0.8344 NPC216816
Intermediate Similarity 0.8344 NPC118804
Intermediate Similarity 0.8344 NPC106786
Intermediate Similarity 0.8333 NPC25084
Intermediate Similarity 0.8333 NPC57512
Intermediate Similarity 0.8333 NPC247639
Intermediate Similarity 0.8312 NPC119669
Intermediate Similarity 0.8312 NPC476568
Intermediate Similarity 0.8312 NPC81733
Intermediate Similarity 0.8312 NPC326316
Intermediate Similarity 0.8302 NPC59567
Intermediate Similarity 0.8301 NPC207824
Intermediate Similarity 0.8301 NPC477565
Intermediate Similarity 0.8301 NPC60538
Intermediate Similarity 0.8301 NPC103379
Intermediate Similarity 0.8289 NPC144863
Intermediate Similarity 0.8276 NPC160692
Intermediate Similarity 0.8258 NPC476580
Intermediate Similarity 0.8258 NPC223124
Intermediate Similarity 0.8258 NPC37272
Intermediate Similarity 0.8247 NPC274026
Intermediate Similarity 0.8231 NPC131204
Intermediate Similarity 0.8231 NPC301050
Intermediate Similarity 0.8231 NPC7018
Intermediate Similarity 0.8228 NPC477080
Intermediate Similarity 0.8228 NPC111485
Intermediate Similarity 0.8217 NPC234392
Intermediate Similarity 0.8217 NPC31311
Intermediate Similarity 0.8194 NPC8337
Intermediate Similarity 0.8194 NPC76213
Intermediate Similarity 0.8194 NPC277669
Intermediate Similarity 0.8194 NPC85747
Intermediate Similarity 0.8182 NPC172403
Intermediate Similarity 0.8182 NPC219162
Intermediate Similarity 0.816 NPC474708
Intermediate Similarity 0.8153 NPC99659
Intermediate Similarity 0.8153 NPC325871
Intermediate Similarity 0.8153 NPC78733
Intermediate Similarity 0.8141 NPC133011
Intermediate Similarity 0.8141 NPC148898
Intermediate Similarity 0.8141 NPC82285
Intermediate Similarity 0.8137 NPC284183
Intermediate Similarity 0.8137 NPC4138
Intermediate Similarity 0.8137 NPC121275
Intermediate Similarity 0.8125 NPC153631
Intermediate Similarity 0.8117 NPC130941
Intermediate Similarity 0.8101 NPC147091
Intermediate Similarity 0.8098 NPC475845
Intermediate Similarity 0.8092 NPC294249
Intermediate Similarity 0.8084 NPC27887
Intermediate Similarity 0.8075 NPC475393
Intermediate Similarity 0.8063 NPC205167
Intermediate Similarity 0.8063 NPC249274
Intermediate Similarity 0.8059 NPC169387
Intermediate Similarity 0.8059 NPC477259
Intermediate Similarity 0.8052 NPC95075
Intermediate Similarity 0.8052 NPC253883
Intermediate Similarity 0.8052 NPC90844
Intermediate Similarity 0.805 NPC476572
Intermediate Similarity 0.8037 NPC57812
Intermediate Similarity 0.8037 NPC474324
Intermediate Similarity 0.8025 NPC276944
Intermediate Similarity 0.8025 NPC232514
Intermediate Similarity 0.8025 NPC470924
Intermediate Similarity 0.8025 NPC238530
Intermediate Similarity 0.8025 NPC24465
Intermediate Similarity 0.8025 NPC39103
Intermediate Similarity 0.8025 NPC2770
Intermediate Similarity 0.8012 NPC208890
Intermediate Similarity 0.7988 NPC66573
Intermediate Similarity 0.7988 NPC470324
Intermediate Similarity 0.7988 NPC102760
Intermediate Similarity 0.7987 NPC203784
Intermediate Similarity 0.7987 NPC170503
Intermediate Similarity 0.7987 NPC126519
Intermediate Similarity 0.7975 NPC2295
Intermediate Similarity 0.7975 NPC13916
Intermediate Similarity 0.7975 NPC240841
Intermediate Similarity 0.7975 NPC317272
Intermediate Similarity 0.7975 NPC268503
Intermediate Similarity 0.7975 NPC256012
Intermediate Similarity 0.7975 NPC250846
Intermediate Similarity 0.7975 NPC264850
Intermediate Similarity 0.7975 NPC477564
Intermediate Similarity 0.7975 NPC42549
Intermediate Similarity 0.7953 NPC230098
Intermediate Similarity 0.795 NPC266753
Intermediate Similarity 0.795 NPC232924
Intermediate Similarity 0.795 NPC160298
Intermediate Similarity 0.795 NPC306902
Intermediate Similarity 0.795 NPC477559
Intermediate Similarity 0.795 NPC166014
Intermediate Similarity 0.795 NPC135006
Intermediate Similarity 0.795 NPC27410
Intermediate Similarity 0.7939 NPC109925
Intermediate Similarity 0.7927 NPC284842
Intermediate Similarity 0.7919 NPC63152
Intermediate Similarity 0.7919 NPC11147
Intermediate Similarity 0.7914 NPC306669
Intermediate Similarity 0.7914 NPC231198
Intermediate Similarity 0.7895 NPC470925
Intermediate Similarity 0.7888 NPC92191
Intermediate Similarity 0.7888 NPC59028
Intermediate Similarity 0.7879 NPC86469
Intermediate Similarity 0.7879 NPC241055
Intermediate Similarity 0.787 NPC474745
Intermediate Similarity 0.7857 NPC241704
Intermediate Similarity 0.7853 NPC324144
Intermediate Similarity 0.7853 NPC320104
Intermediate Similarity 0.784 NPC226428
Intermediate Similarity 0.784 NPC215829
Intermediate Similarity 0.784 NPC97072
Intermediate Similarity 0.7838 NPC118419
Intermediate Similarity 0.7824 NPC115906
Intermediate Similarity 0.7818 NPC100566
Intermediate Similarity 0.7812 NPC244112
Intermediate Similarity 0.7812 NPC93593
Intermediate Similarity 0.7811 NPC474325
Intermediate Similarity 0.7805 NPC302527
Intermediate Similarity 0.7805 NPC477563
Intermediate Similarity 0.7805 NPC225774
Intermediate Similarity 0.7805 NPC196447
Intermediate Similarity 0.7805 NPC253043
Intermediate Similarity 0.7805 NPC78222
Intermediate Similarity 0.7805 NPC136508
Intermediate Similarity 0.7805 NPC306843
Intermediate Similarity 0.7805 NPC13504
Intermediate Similarity 0.7805 NPC96603
Intermediate Similarity 0.7805 NPC16805
Intermediate Similarity 0.7805 NPC212794
Intermediate Similarity 0.7805 NPC167546
Intermediate Similarity 0.7799 NPC26601
Intermediate Similarity 0.7798 NPC304675
Intermediate Similarity 0.7784 NPC10908
Intermediate Similarity 0.7784 NPC63646

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS   8707
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  317.20
ALogP  0.3996
MLogP  3.11
XLogP  2.688
HDA  2
HBD  0
Rotatable Bonds  8
TPSA  38.77
RO5 Violation  0