Drug Information

Drug ID:  NPD4675
Drug Name:  Trimethobenzamide Hydrochloride
Molecular Formula:  C21H28N2O5.ClH
Canonical SMILES:  COc1cc(cc(c1OC)OC)C(=NCc1ccc(cc1)OCCN(C)C)O.Cl
Standard InCHI:  InChI=1S/C21H28N2O5.ClH/c1-23(2)10-11-28-17-8-6-15(7-9-17)14-22-21(24)16-12-18(25-3)20(27-5)19(13-16)26-4;/h6-9,12-13H,10-11,14H2,1-5H3,(H,22,24);1H
Standard InCHIKey:  WIIZEEPFHXAUND-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD4675

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 0.8487 NPC115144
Intermediate Similarity 0.8487 NPC277857
Intermediate Similarity 0.8446 NPC296898
Intermediate Similarity 0.8322 NPC299583
Intermediate Similarity 0.8313 NPC50380
Intermediate Similarity 0.8313 NPC179250
Intermediate Similarity 0.8194 NPC471032
Intermediate Similarity 0.8194 NPC470935
Intermediate Similarity 0.8165 NPC475557
Intermediate Similarity 0.8153 NPC127402
Intermediate Similarity 0.8146 NPC477838
Intermediate Similarity 0.8146 NPC477837
Intermediate Similarity 0.8133 NPC14600
Intermediate Similarity 0.8133 NPC204848
Intermediate Similarity 0.8133 NPC160607
Intermediate Similarity 0.8133 NPC228040
Intermediate Similarity 0.8133 NPC41473
Intermediate Similarity 0.8133 NPC312770
Intermediate Similarity 0.8069 NPC301713
Intermediate Similarity 0.8065 NPC473934
Intermediate Similarity 0.8041 NPC214869
Intermediate Similarity 0.8027 NPC218856
Intermediate Similarity 0.8027 NPC210623
Intermediate Similarity 0.8027 NPC470258
Intermediate Similarity 0.8027 NPC3439
Intermediate Similarity 0.8027 NPC222004
Intermediate Similarity 0.8027 NPC285339
Intermediate Similarity 0.8027 NPC273295
Intermediate Similarity 0.8027 NPC190629
Intermediate Similarity 0.8027 NPC202582
Intermediate Similarity 0.8027 NPC226788
Intermediate Similarity 0.8025 NPC182119
Intermediate Similarity 0.8013 NPC254610
Intermediate Similarity 0.8 NPC110337
Intermediate Similarity 0.8 NPC107602
Intermediate Similarity 0.7987 NPC275027
Intermediate Similarity 0.7973 NPC114102
Intermediate Similarity 0.7963 NPC329837
Intermediate Similarity 0.7919 NPC472597
Intermediate Similarity 0.7919 NPC93882
Intermediate Similarity 0.7919 NPC469613
Intermediate Similarity 0.7919 NPC30043
Intermediate Similarity 0.7919 NPC469625
Intermediate Similarity 0.7919 NPC130595
Intermediate Similarity 0.7905 NPC195749
Intermediate Similarity 0.7905 NPC35961
Intermediate Similarity 0.7905 NPC52029
Intermediate Similarity 0.7891 NPC186898
Intermediate Similarity 0.7891 NPC474119
Intermediate Similarity 0.7891 NPC210355
Intermediate Similarity 0.7877 NPC29477
Intermediate Similarity 0.7867 NPC7903
Intermediate Similarity 0.7867 NPC285078
Intermediate Similarity 0.7867 NPC35932
Intermediate Similarity 0.7867 NPC160991
Intermediate Similarity 0.7867 NPC6854
Intermediate Similarity 0.7867 NPC313737
Intermediate Similarity 0.7867 NPC16208
Intermediate Similarity 0.7867 NPC184447
Intermediate Similarity 0.7852 NPC308885
Intermediate Similarity 0.7852 NPC469614
Intermediate Similarity 0.7852 NPC255550
Intermediate Similarity 0.7852 NPC469612
Intermediate Similarity 0.7852 NPC472338
Intermediate Similarity 0.7844 NPC204908
Intermediate Similarity 0.7844 NPC83198
Intermediate Similarity 0.7838 NPC155838
Intermediate Similarity 0.7815 NPC168059
Intermediate Similarity 0.7815 NPC229442
Intermediate Similarity 0.7815 NPC218530
Intermediate Similarity 0.7812 NPC474560
Intermediate Similarity 0.7811 NPC190783
Intermediate Similarity 0.7811 NPC232386
Intermediate Similarity 0.7811 NPC152680
Intermediate Similarity 0.7797 NPC85381
Intermediate Similarity 0.7793 NPC261661
Intermediate Similarity 0.7791 NPC235628
Intermediate Similarity 0.7784 NPC41122
Intermediate Similarity 0.7784 NPC318805
Intermediate Similarity 0.7778 NPC472596
Intermediate Similarity 0.7778 NPC199023
Intermediate Similarity 0.7778 NPC166759
Intermediate Similarity 0.7771 NPC5462
Intermediate Similarity 0.7771 NPC313414
Intermediate Similarity 0.777 NPC153990
Intermediate Similarity 0.777 NPC251571
Intermediate Similarity 0.7763 NPC310854
Intermediate Similarity 0.7763 NPC170694
Intermediate Similarity 0.7748 NPC470752
Intermediate Similarity 0.7746 NPC476202
Intermediate Similarity 0.774 NPC282496
Intermediate Similarity 0.774 NPC211218
Intermediate Similarity 0.774 NPC233526
Intermediate Similarity 0.7733 NPC214860
Intermediate Similarity 0.7725 NPC90984
Intermediate Similarity 0.7725 NPC68328
Intermediate Similarity 0.7712 NPC470356
Intermediate Similarity 0.7712 NPC94750
Intermediate Similarity 0.7712 NPC474206
Intermediate Similarity 0.7712 NPC112246
Intermediate Similarity 0.7712 NPC195022
Intermediate Similarity 0.7712 NPC121812
Intermediate Similarity 0.7712 NPC112939
Intermediate Similarity 0.7712 NPC472337
Intermediate Similarity 0.7712 NPC61946
Intermediate Similarity 0.7709 NPC234318
Intermediate Similarity 0.7708 NPC474565
Intermediate Similarity 0.7697 NPC263064
Intermediate Similarity 0.7697 NPC475840
Intermediate Similarity 0.7692 NPC100478
Intermediate Similarity 0.7692 NPC222039
Intermediate Similarity 0.7688 NPC195538
Intermediate Similarity 0.7687 NPC95733
Intermediate Similarity 0.7687 NPC122792
Intermediate Similarity 0.7687 NPC228972
Intermediate Similarity 0.7687 NPC109822
Intermediate Similarity 0.7687 NPC62101
Intermediate Similarity 0.7687 NPC94276
Intermediate Similarity 0.7683 NPC129603
Intermediate Similarity 0.7682 NPC309787
Intermediate Similarity 0.7682 NPC470096
Intermediate Similarity 0.7682 NPC470095
Intermediate Similarity 0.7677 NPC83289
Intermediate Similarity 0.7677 NPC212850
Intermediate Similarity 0.7677 NPC189724
Intermediate Similarity 0.7671 NPC473411
Intermediate Similarity 0.7671 NPC262253
Intermediate Similarity 0.7671 NPC71579
Intermediate Similarity 0.767 NPC29531
Intermediate Similarity 0.7667 NPC476968
Intermediate Similarity 0.7667 NPC45824
Intermediate Similarity 0.7667 NPC170844
Intermediate Similarity 0.7662 NPC265433
Intermediate Similarity 0.7662 NPC474639
Intermediate Similarity 0.7662 NPC172818
Intermediate Similarity 0.7662 NPC230734
Intermediate Similarity 0.7662 NPC25695
Intermediate Similarity 0.7662 NPC227503
Intermediate Similarity 0.7662 NPC472336
Intermediate Similarity 0.7662 NPC173660
Intermediate Similarity 0.7662 NPC306441
Intermediate Similarity 0.7662 NPC270456
Intermediate Similarity 0.7662 NPC471719
Intermediate Similarity 0.7662 NPC16435
Intermediate Similarity 0.7662 NPC162659
Intermediate Similarity 0.7662 NPC472334
Intermediate Similarity 0.7662 NPC248727
Intermediate Similarity 0.7657 NPC249996
Intermediate Similarity 0.7655 NPC183262
Intermediate Similarity 0.7651 NPC172403
Intermediate Similarity 0.7651 NPC242032
Intermediate Similarity 0.7651 NPC470699
Intermediate Similarity 0.7651 NPC183181
Intermediate Similarity 0.7651 NPC292056
Intermediate Similarity 0.7651 NPC147821
Intermediate Similarity 0.7651 NPC111247
Intermediate Similarity 0.7651 NPC319625
Intermediate Similarity 0.7651 NPC118787
Intermediate Similarity 0.7651 NPC163332
Intermediate Similarity 0.7651 NPC41706
Intermediate Similarity 0.7647 NPC231371
Intermediate Similarity 0.7647 NPC309744
Intermediate Similarity 0.7647 NPC317380
Intermediate Similarity 0.7643 NPC178466
Intermediate Similarity 0.7643 NPC63628
Intermediate Similarity 0.7639 NPC43275
Intermediate Similarity 0.7635 NPC117214
Intermediate Similarity 0.7635 NPC105925
Intermediate Similarity 0.7635 NPC57490
Intermediate Similarity 0.7635 NPC208950
Intermediate Similarity 0.7635 NPC193544
Intermediate Similarity 0.7635 NPC299584
Intermediate Similarity 0.7635 NPC298757
Intermediate Similarity 0.7635 NPC203133
Intermediate Similarity 0.7635 NPC475169
Intermediate Similarity 0.7635 NPC221077
Intermediate Similarity 0.7635 NPC251855
Intermediate Similarity 0.7635 NPC116907
Intermediate Similarity 0.7635 NPC472093
Intermediate Similarity 0.7635 NPC17943
Intermediate Similarity 0.7635 NPC265483
Intermediate Similarity 0.7635 NPC82483
Intermediate Similarity 0.7635 NPC233410
Intermediate Similarity 0.7632 NPC253105
Intermediate Similarity 0.7632 NPC86655
Intermediate Similarity 0.7632 NPC202762
Intermediate Similarity 0.7632 NPC127624
Intermediate Similarity 0.7632 NPC201587
Intermediate Similarity 0.7619 NPC13916
Intermediate Similarity 0.7619 NPC329717
Intermediate Similarity 0.7619 NPC198741
Intermediate Similarity 0.7619 NPC264850
Intermediate Similarity 0.7616 NPC91291
Intermediate Similarity 0.7613 NPC102904
Intermediate Similarity 0.7613 NPC176051
Intermediate Similarity 0.7613 NPC211549
Intermediate Similarity 0.7613 NPC276490
Intermediate Similarity 0.7613 NPC474282
Intermediate Similarity 0.7613 NPC477938
Intermediate Similarity 0.7613 NPC107551

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  388.20
ALogP  -0.3627
MLogP  3
XLogP  2.593
HDA  3
HBD  1
Rotatable Bonds  16
TPSA  72.75
RO5 Violation  0