Drug Information

Drug ID:  NPD6236
Drug Name:  Meclizine
Molecular Formula:  C25H27ClN2
Canonical SMILES:  Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)Cc1cccc(c1)C
Standard InCHI:  InChI=1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3
Standard InCHIKey:  OCJYIGYOJCODJL-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD6236

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 0.789 NPC239854
Intermediate Similarity 0.7885 NPC470926
Intermediate Similarity 0.7583 NPC320656
Intermediate Similarity 0.7339 NPC329430
Intermediate Similarity 0.7217 NPC474695
Intermediate Similarity 0.7115 NPC104070
Intermediate Similarity 0.7105 NPC291610
Intermediate Similarity 0.7034 NPC77294
Remote Similarity 0.6992 NPC313352
Remote Similarity 0.6952 NPC119677
Remote Similarity 0.6931 NPC271642
Remote Similarity 0.6887 NPC169016
Remote Similarity 0.6832 NPC98976
Remote Similarity 0.678 NPC473418
Remote Similarity 0.6762 NPC231986
Remote Similarity 0.6752 NPC471310
Remote Similarity 0.6724 NPC474582
Remote Similarity 0.6606 NPC258046
Remote Similarity 0.6594 NPC316906
Remote Similarity 0.6589 NPC475915
Remote Similarity 0.6491 NPC322040
Remote Similarity 0.6476 NPC12857
Remote Similarity 0.6454 NPC32002
Remote Similarity 0.6454 NPC315348
Remote Similarity 0.6403 NPC325599
Remote Similarity 0.6381 NPC98269
Remote Similarity 0.6381 NPC325662
Remote Similarity 0.6364 NPC474559
Remote Similarity 0.6364 NPC167336
Remote Similarity 0.6348 NPC469330
Remote Similarity 0.6336 NPC314192
Remote Similarity 0.6296 NPC469949
Remote Similarity 0.6279 NPC192209
Remote Similarity 0.625 NPC60408
Remote Similarity 0.6231 NPC264580
Remote Similarity 0.6172 NPC246904
Remote Similarity 0.6172 NPC471318
Remote Similarity 0.616 NPC292758
Remote Similarity 0.616 NPC65855
Remote Similarity 0.6154 NPC108339
Remote Similarity 0.6154 NPC313449
Remote Similarity 0.6148 NPC79698
Remote Similarity 0.6132 NPC139658
Remote Similarity 0.6126 NPC133162
Remote Similarity 0.6106 NPC17497
Remote Similarity 0.6106 NPC305602
Remote Similarity 0.6103 NPC252794
Remote Similarity 0.6102 NPC471319
Remote Similarity 0.6102 NPC471320
Remote Similarity 0.6095 NPC113000
Remote Similarity 0.6095 NPC122327
Remote Similarity 0.6095 NPC112609
Remote Similarity 0.6094 NPC296163
Remote Similarity 0.6094 NPC187036
Remote Similarity 0.6087 NPC9856
Remote Similarity 0.6077 NPC313673
Remote Similarity 0.6075 NPC290638
Remote Similarity 0.6058 NPC478079
Remote Similarity 0.6055 NPC315216
Remote Similarity 0.6047 NPC113099
Remote Similarity 0.6016 NPC469974
Remote Similarity 0.6015 NPC316582
Remote Similarity 0.6015 NPC317564
Remote Similarity 0.6 NPC473573
Remote Similarity 0.5985 NPC228515
Remote Similarity 0.5971 NPC473417
Remote Similarity 0.5965 NPC473031
Remote Similarity 0.5962 NPC219246
Remote Similarity 0.5952 NPC302790
Remote Similarity 0.5943 NPC299134
Remote Similarity 0.5929 NPC126458
Remote Similarity 0.5917 NPC311242
Remote Similarity 0.5913 NPC12429
Remote Similarity 0.5909 NPC476464
Remote Similarity 0.5893 NPC474088
Remote Similarity 0.5888 NPC276699
Remote Similarity 0.5888 NPC307195
Remote Similarity 0.5887 NPC473962
Remote Similarity 0.5878 NPC288232
Remote Similarity 0.5877 NPC203076
Remote Similarity 0.5873 NPC79618
Remote Similarity 0.5873 NPC434
Remote Similarity 0.5872 NPC245896
Remote Similarity 0.5872 NPC66270
Remote Similarity 0.5865 NPC220698
Remote Similarity 0.5862 NPC470877
Remote Similarity 0.585 NPC470925
Remote Similarity 0.5849 NPC244738
Remote Similarity 0.5847 NPC473661
Remote Similarity 0.5833 NPC470544
Remote Similarity 0.5818 NPC159661
Remote Similarity 0.5812 NPC471307
Remote Similarity 0.5812 NPC209764
Remote Similarity 0.5812 NPC191444
Remote Similarity 0.5812 NPC141139
Remote Similarity 0.5812 NPC74936
Remote Similarity 0.5812 NPC78041
Remote Similarity 0.5812 NPC121872
Remote Similarity 0.5812 NPC159178
Remote Similarity 0.581 NPC229235
Remote Similarity 0.5794 NPC96835
Remote Similarity 0.5794 NPC258492
Remote Similarity 0.5789 NPC470545
Remote Similarity 0.578 NPC3190
Remote Similarity 0.578 NPC249018
Remote Similarity 0.5766 NPC50063
Remote Similarity 0.5746 NPC470546
Remote Similarity 0.5743 NPC22786
Remote Similarity 0.5732 NPC477591
Remote Similarity 0.5727 NPC255345
Remote Similarity 0.5726 NPC176858
Remote Similarity 0.5724 NPC144863
Remote Similarity 0.5724 NPC253883
Remote Similarity 0.5724 NPC95075
Remote Similarity 0.5724 NPC90844
Remote Similarity 0.5714 NPC139416
Remote Similarity 0.5714 NPC476198
Remote Similarity 0.5714 NPC476950
Remote Similarity 0.5714 NPC125416
Remote Similarity 0.5714 NPC246822
Remote Similarity 0.5714 NPC213570
Remote Similarity 0.5704 NPC126859
Remote Similarity 0.5704 NPC89769
Remote Similarity 0.5704 NPC226143
Remote Similarity 0.5704 NPC259665
Remote Similarity 0.5701 NPC54269
Remote Similarity 0.5695 NPC469735
Remote Similarity 0.5683 NPC122718
Remote Similarity 0.5679 NPC116961
Remote Similarity 0.5674 NPC473322
Remote Similarity 0.5674 NPC111428
Remote Similarity 0.5669 NPC45033
Remote Similarity 0.5667 NPC20144
Remote Similarity 0.5667 NPC7067
Remote Similarity 0.5667 NPC471309
Remote Similarity 0.5664 NPC53044
Remote Similarity 0.566 NPC72670
Remote Similarity 0.5658 NPC469740
Remote Similarity 0.5656 NPC472258
Remote Similarity 0.5649 NPC206592
Remote Similarity 0.5649 NPC92541
Remote Similarity 0.5649 NPC66936
Remote Similarity 0.5649 NPC219162
Remote Similarity 0.5646 NPC314102
Remote Similarity 0.5646 NPC251722
Remote Similarity 0.5644 NPC210849
Remote Similarity 0.5644 NPC246588
Remote Similarity 0.5644 NPC150196
Remote Similarity 0.5641 NPC111233
Remote Similarity 0.5639 NPC101139
Remote Similarity 0.5634 NPC124802
Remote Similarity 0.5631 NPC32312
Remote Similarity 0.562 NPC303045
Remote Similarity 0.562 NPC71684
Remote Similarity 0.562 NPC161972
Remote Similarity 0.5615 NPC313981
Remote Similarity 0.5612 NPC307020
Remote Similarity 0.561 NPC322598
Remote Similarity 0.5607 NPC1008
Remote Similarity 0.5607 NPC87099
Remote Similarity 0.5607 NPC158028
Remote Similarity 0.5607 NPC280135
Remote Similarity 0.5607 NPC39799
Remote Similarity 0.5607 NPC193578
Remote Similarity 0.5607 NPC135433
Remote Similarity 0.5607 NPC226999
Remote Similarity 0.5603 NPC145754

Drug Structure

External Identifiers

TTD   DAP000795
DrugBank   DB00737
ChEMBL   CHEMBL1623
IUPHAR/BPS   2757
PharmaGKB   PA450338
KEGG Drug  
PubChem CID   4034
ChEBI   6709
CAS Number  569-65-3

Drug Properties

Molecular Weight  390.19
ALogP  1.4203
MLogP  3.88
XLogP  8.253
HDA  2
HBD  0
Rotatable Bonds  7
TPSA  6.48
RO5 Violation  1