Drug Information

Drug ID:  NPD5772
Drug Name:  Eliglustat Tartrate
Molecular Formula:  C23H36N2O4.C4H6O6
Canonical SMILES:  OC(C(C(=O)O)O)C(=O)O.CCCCCCCC(=N[C@@H]([C@@H](c1ccc2c(c1)OCCO2)O)CN1CCCC1)O
Standard InCHI:  InChI=1S/C23H36N2O4.C4H6O6/c1-2-3-4-5-6-9-22(26)24-19(17-25-12-7-8-13-25)23(27)18-10-11-20-21(16-18)29-15-14-28-20;5-1(3(7)8)2(6)4(9)10/h10-11,16,19,23,27H,2-9,12-15,17H2,1H3,(H,24,26);1-2,5-6H,(H,7,8)(H,9,10)/t19-,23-;/m1./s1
Standard InCHIKey:  VNGQLUTVKDPUJS-AQHBPOCSSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD5772

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 0.8442 NPC277857
Intermediate Similarity 0.8442 NPC115144
Intermediate Similarity 0.821 NPC4304
Intermediate Similarity 0.8182 NPC252960
Intermediate Similarity 0.8153 NPC471032
Intermediate Similarity 0.8153 NPC470935
Intermediate Similarity 0.811 NPC218614
Intermediate Similarity 0.8092 NPC204848
Intermediate Similarity 0.8092 NPC41473
Intermediate Similarity 0.8092 NPC160607
Intermediate Similarity 0.8092 NPC14600
Intermediate Similarity 0.8092 NPC312770
Intermediate Similarity 0.8039 NPC299583
Intermediate Similarity 0.8037 NPC59028
Intermediate Similarity 0.8037 NPC92191
Intermediate Similarity 0.7978 NPC144314
Intermediate Similarity 0.7933 NPC50548
Intermediate Similarity 0.7929 NPC477640
Intermediate Similarity 0.7929 NPC470739
Intermediate Similarity 0.7929 NPC225597
Intermediate Similarity 0.7921 NPC149962
Intermediate Similarity 0.7914 NPC160931
Intermediate Similarity 0.7914 NPC37205
Intermediate Similarity 0.7904 NPC198741
Intermediate Similarity 0.7889 NPC123859
Intermediate Similarity 0.7879 NPC205167
Intermediate Similarity 0.7879 NPC249274
Intermediate Similarity 0.7874 NPC276120
Intermediate Similarity 0.787 NPC474475
Intermediate Similarity 0.787 NPC164608
Intermediate Similarity 0.7857 NPC193528
Intermediate Similarity 0.7831 NPC50380
Intermediate Similarity 0.7831 NPC179250
Intermediate Similarity 0.7815 NPC114102
Intermediate Similarity 0.7811 NPC266176
Intermediate Similarity 0.7811 NPC158148
Intermediate Similarity 0.7811 NPC58766
Intermediate Similarity 0.7811 NPC82533
Intermediate Similarity 0.7811 NPC475686
Intermediate Similarity 0.7811 NPC290759
Intermediate Similarity 0.7805 NPC147091
Intermediate Similarity 0.7798 NPC124657
Intermediate Similarity 0.7798 NPC90984
Intermediate Similarity 0.7798 NPC329717
Intermediate Similarity 0.7791 NPC32064
Intermediate Similarity 0.7785 NPC301713
Intermediate Similarity 0.7778 NPC2314
Intermediate Similarity 0.7764 NPC182119
Intermediate Similarity 0.7763 NPC214869
Intermediate Similarity 0.7758 NPC40389
Intermediate Similarity 0.7758 NPC315707
Intermediate Similarity 0.7758 NPC148014
Intermediate Similarity 0.7758 NPC65490
Intermediate Similarity 0.7758 NPC78359
Intermediate Similarity 0.7756 NPC83289
Intermediate Similarity 0.7756 NPC212850
Intermediate Similarity 0.7756 NPC189724
Intermediate Similarity 0.7751 NPC100566
Intermediate Similarity 0.7751 NPC150879
Intermediate Similarity 0.7747 NPC242728
Intermediate Similarity 0.7742 NPC254610
Intermediate Similarity 0.774 NPC29531
Intermediate Similarity 0.7736 NPC313414
Intermediate Similarity 0.7733 NPC153990
Intermediate Similarity 0.7727 NPC11147
Intermediate Similarity 0.7725 NPC254700
Intermediate Similarity 0.7716 NPC274026
Intermediate Similarity 0.7712 NPC6854
Intermediate Similarity 0.7712 NPC285078
Intermediate Similarity 0.7712 NPC313737
Intermediate Similarity 0.7711 NPC69360
Intermediate Similarity 0.7697 NPC180756
Intermediate Similarity 0.7697 NPC323443
Intermediate Similarity 0.7692 NPC476002
Intermediate Similarity 0.7688 NPC245974
Intermediate Similarity 0.7688 NPC474470
Intermediate Similarity 0.7669 NPC474560
Intermediate Similarity 0.7667 NPC471563
Intermediate Similarity 0.7661 NPC474953
Intermediate Similarity 0.7651 NPC62101
Intermediate Similarity 0.7651 NPC129603
Intermediate Similarity 0.7651 NPC109822
Intermediate Similarity 0.7651 NPC95733
Intermediate Similarity 0.7651 NPC94276
Intermediate Similarity 0.7647 NPC130595
Intermediate Similarity 0.7647 NPC247018
Intermediate Similarity 0.7647 NPC181653
Intermediate Similarity 0.7647 NPC118419
Intermediate Similarity 0.7647 NPC190332
Intermediate Similarity 0.7647 NPC307123
Intermediate Similarity 0.7647 NPC97870
Intermediate Similarity 0.7647 NPC93882
Intermediate Similarity 0.7643 NPC477837
Intermediate Similarity 0.7643 NPC477838
Intermediate Similarity 0.7633 NPC35345
Intermediate Similarity 0.7632 NPC35961
Intermediate Similarity 0.7632 NPC52029
Intermediate Similarity 0.7632 NPC195749
Intermediate Similarity 0.763 NPC49353
Intermediate Similarity 0.7625 NPC5462
Intermediate Similarity 0.7622 NPC471073
Intermediate Similarity 0.7622 NPC275027
Intermediate Similarity 0.7622 NPC270811
Intermediate Similarity 0.7614 NPC138083
Intermediate Similarity 0.7605 NPC329640
Intermediate Similarity 0.76 NPC29477
Intermediate Similarity 0.7586 NPC237044
Intermediate Similarity 0.7582 NPC329595
Intermediate Similarity 0.7582 NPC326599
Intermediate Similarity 0.758 NPC296898
Intermediate Similarity 0.7574 NPC233650
Intermediate Similarity 0.7574 NPC320104
Intermediate Similarity 0.7566 NPC155838
Intermediate Similarity 0.7562 NPC247298
Intermediate Similarity 0.756 NPC215829
Intermediate Similarity 0.756 NPC18402
Intermediate Similarity 0.756 NPC97072
Intermediate Similarity 0.7557 NPC305847
Intermediate Similarity 0.755 NPC178284
Intermediate Similarity 0.755 NPC191037
Intermediate Similarity 0.755 NPC58607
Intermediate Similarity 0.7548 NPC218530
Intermediate Similarity 0.7543 NPC474325
Intermediate Similarity 0.7543 NPC329816
Intermediate Similarity 0.7532 NPC77572
Intermediate Similarity 0.7532 NPC274732
Intermediate Similarity 0.7529 NPC134858
Intermediate Similarity 0.7529 NPC54125
Intermediate Similarity 0.7529 NPC180306
Intermediate Similarity 0.7529 NPC89199
Intermediate Similarity 0.7529 NPC304675
Intermediate Similarity 0.7517 NPC71090
Intermediate Similarity 0.7516 NPC86030
Intermediate Similarity 0.7516 NPC470706
Intermediate Similarity 0.7516 NPC185838
Intermediate Similarity 0.7516 NPC5851
Intermediate Similarity 0.7515 NPC133011
Intermediate Similarity 0.7515 NPC82285
Intermediate Similarity 0.7514 NPC302449
Intermediate Similarity 0.75 NPC292056
Intermediate Similarity 0.75 NPC63628
Intermediate Similarity 0.75 NPC264956
Intermediate Similarity 0.75 NPC147821
Intermediate Similarity 0.75 NPC319625
Intermediate Similarity 0.75 NPC41706
Intermediate Similarity 0.75 NPC474745
Intermediate Similarity 0.75 NPC99179
Intermediate Similarity 0.75 NPC191302
Intermediate Similarity 0.75 NPC163332
Intermediate Similarity 0.75 NPC251571
Intermediate Similarity 0.75 NPC186898
Intermediate Similarity 0.75 NPC204908
Intermediate Similarity 0.75 NPC183181
Intermediate Similarity 0.75 NPC178466
Intermediate Similarity 0.75 NPC111247
Intermediate Similarity 0.75 NPC244554
Intermediate Similarity 0.75 NPC118787
Intermediate Similarity 0.75 NPC83198
Intermediate Similarity 0.7486 NPC234318
Intermediate Similarity 0.7485 NPC476571
Intermediate Similarity 0.7485 NPC135538
Intermediate Similarity 0.7485 NPC147390
Intermediate Similarity 0.7485 NPC428
Intermediate Similarity 0.7485 NPC474858
Intermediate Similarity 0.7485 NPC246587
Intermediate Similarity 0.7485 NPC24233
Intermediate Similarity 0.7483 NPC194519
Intermediate Similarity 0.7471 NPC152680
Intermediate Similarity 0.7471 NPC124433
Intermediate Similarity 0.7471 NPC190783
Intermediate Similarity 0.7471 NPC232386
Intermediate Similarity 0.7471 NPC293871
Intermediate Similarity 0.747 NPC475557
Intermediate Similarity 0.7468 NPC255550
Intermediate Similarity 0.7468 NPC308885
Intermediate Similarity 0.7467 NPC211218
Intermediate Similarity 0.7459 NPC318805
Intermediate Similarity 0.7459 NPC41122
Intermediate Similarity 0.7458 NPC474607
Intermediate Similarity 0.7457 NPC311991
Intermediate Similarity 0.7455 NPC127402
Intermediate Similarity 0.7452 NPC93783
Intermediate Similarity 0.7451 NPC72529
Intermediate Similarity 0.7451 NPC470084
Intermediate Similarity 0.7444 NPC64140
Intermediate Similarity 0.7444 NPC174122
Intermediate Similarity 0.7442 NPC304846
Intermediate Similarity 0.7442 NPC210140
Intermediate Similarity 0.7438 NPC222039
Intermediate Similarity 0.7438 NPC100478
Intermediate Similarity 0.7436 NPC25821
Intermediate Similarity 0.7436 NPC26394
Intermediate Similarity 0.7434 NPC206882
Intermediate Similarity 0.7429 NPC187678
Intermediate Similarity 0.7427 NPC169743
Intermediate Similarity 0.7423 NPC476743
Intermediate Similarity 0.7423 NPC191376
Intermediate Similarity 0.7423 NPC321505
Intermediate Similarity 0.7423 NPC179825
Intermediate Similarity 0.7423 NPC476151

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  404.27
ALogP  -2.9217
MLogP  3.33
XLogP  4.193
HDA  4
HBD  2
Rotatable Bonds  14
TPSA  74.52
RO5 Violation  1